RCSB PDB - 0OC Ligand Summary Page

0OC

N,N-dimethylthiophene-3-sulfonamide

Created: 2012-04-02
Last modified:  2013-03-13

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count20
Aromatic Bond Count5
2D diagram of 0OC

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Chemical Component Summary

NameN,N-dimethylthiophene-3-sulfonamide
Systematic Name (OpenEye OEToolkits)N,N-dimethylthiophene-3-sulfonamide
FormulaC6 H9 N O2 S2
Molecular Weight191.271
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=S(=O)(N(C)C)c1ccsc1
SMILESCACTVS3.370CN(C)[S](=O)(=O)c1cscc1
SMILESOpenEye OEToolkits1.7.6CN(C)S(=O)(=O)c1ccsc1
Canonical SMILESCACTVS3.370 CN(C)[S](=O)(=O)c1cscc1
Canonical SMILESOpenEye OEToolkits1.7.6 CN(C)S(=O)(=O)c1ccsc1
InChIInChI1.03 InChI=1S/C6H9NO2S2/c1-7(2)11(8,9)6-3-4-10-5-6/h3-5H,1-2H3
InChIKeyInChI1.03 ULWLGURUKSRLMX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 24229801