Chemical Components in the PDB

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0OC : Summary

Code

0OC

One-letter code

X

Molecule name

N,N-dimethylthiophene-3-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N,N-dimethylthiophene-3-sulfonamide
OpenEye OEToolkits 1.7.6 N,N-dimethylthiophene-3-sulfonamide

Formula

C6 H9 N O2 S2

Formal charge

0

Molecular weight

191.271 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(N(C)C)c1ccsc1
SMILES CACTVS 3.370 CN(C)[S](=O)(=O)c1cscc1
SMILES OpenEye OEToolkits 1.7.6 CN(C)S(=O)(=O)c1ccsc1
Canonical SMILES CACTVS 3.370 CN(C)[S](=O)(=O)c1cscc1
Canonical SMILES OpenEye OEToolkits 1.7.6 CN(C)S(=O)(=O)c1ccsc1

IUPAC InChI

InChI=1S/C6H9NO2S2/c1-7(2)11(8,9)6-3-4-10-5-6/h3-5H,1-2H3

IUPAC InChI key

ULWLGURUKSRLMX-UHFFFAOYSA-N
0OC

wwPDB Information

Atom count

20 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-04-02

Last modified at

2013-03-08

Status

Released

Obsoleted

Not Assigned