Chemical Components in the PDB

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YEB : Summary

Code

YEB

One-letter code

X

Molecule name

N,N-dimethylmorpholine-4-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N,N-dimethylmorpholine-4-sulfonamide
OpenEye OEToolkits 2.0.7 ~{N},~{N}-dimethylmorpholine-4-sulfonamide

Formula

C6 H14 N2 O3 S

Formal charge

0

Molecular weight

194.252 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(N1CCOCC1)N(C)C
SMILES CACTVS 3.385 CN(C)[S](=O)(=O)N1CCOCC1
SMILES OpenEye OEToolkits 2.0.7 CN(C)S(=O)(=O)N1CCOCC1
Canonical SMILES CACTVS 3.385 CN(C)[S](=O)(=O)N1CCOCC1
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(C)S(=O)(=O)N1CCOCC1

IUPAC InChI

InChI=1S/C6H14N2O3S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h3-6H2,1-2H3

IUPAC InChI key

OPFOHHASSCNHHQ-UHFFFAOYSA-N
YEB

wwPDB Information

Atom count

26 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-01-26

Last modified at

2023-02-10

Status

Released

Obsoleted

Not Assigned