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WOJ : Summary
Code ![](/pdbe/static/images/help.png)
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WOJ
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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(3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C7 H16 N2 O2 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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192.279 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
CC1CN(CCC1N)S(C)(=O)=O |
SMILES
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CACTVS |
3.385 |
C[CH]1CN(CC[CH]1N)[S](C)(=O)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1CN(CCC1N)S(=O)(=O)C |
Canonical SMILES
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CACTVS |
3.385 |
C[C@H]1CN(CC[C@H]1N)[S](C)(=O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C[C@H]1CN(CC[C@H]1N)S(=O)(=O)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H16N2O2S/c1-6-5-9(12(2,10)11)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FRNHPJXWQSBQMR-NKWVEPMBSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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28 (12 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2020-10-30
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Last modified at ![](/pdbe/static/images/help.png)
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2020-11-06
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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