MWP

1-benzothiophen-6-amine 1,1-dioxide

Created:	2012-03-28
Last modified:	2020-06-05

Find Related PDB Entry
1 entries where MWP is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of MWP

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-benzothiophen-6-amine 1,1-dioxide
Synonyms	6-amino-benzothiophene-1,1-dione
Systematic Name (OpenEye OEToolkits)	1,1-bis(oxidanylidene)-1-benzothiophen-6-amine
Formula	C₈ H₇ N O₂ S
Molecular Weight	181.212
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S2(=O)c1cc(ccc1C=C2)N
SMILES	CACTVS	3.370	Nc1ccc2C=C[S](=O)(=O)c2c1
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1N)S(=O)(=O)C=C2
Canonical SMILES	CACTVS	3.370	Nc1ccc2C=C[S](=O)(=O)c2c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1N)S(=O)(=O)C=C2
InChI	InChI	1.03	InChI=1S/C8H7NO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H,9H2
InChIKey	InChI	1.03	KRUCRVZSHWOMHC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2779855

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.