Chemical Components in the PDB

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6RZ : Summary

Code

6RZ

One-letter code

X

Molecule name

2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine

Formula

C10 H16 N2 O2 S

Formal charge

0

Molecular weight

228.311 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](C[S](C)(=O)=O)Nc1cccnc1C
SMILES OpenEye OEToolkits 2.0.5 Cc1c(cccn1)NC(C)CS(=O)(=O)C
Canonical SMILES CACTVS 3.385 C[C@H](C[S](C)(=O)=O)Nc1cccnc1C
Canonical SMILES OpenEye OEToolkits 2.0.5 Cc1c(cccn1)N[C@H](C)CS(=O)(=O)C

IUPAC InChI

InChI=1S/C10H16N2O2S/c1-8(7-15(3,13)14)12-10-5-4-6-11-9(10)2/h4-6,8,12H,7H2,1-3H3/t8-/m1/s1

IUPAC InChI key

HXYSCWJADZACTE-MRVPVSSYSA-N
6RZ

wwPDB Information

Atom count

31 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-06-09

Last modified at

2016-10-21

Status

Released

Obsoleted

Not Assigned