2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

C13H14N2O4S3 — CID 56750071

IUPAC2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(S(=O)(=O)NCc2ccsc2)sc2c1CCNC2
InChIInChI=1S/C13H14N2O4S3/c16-12(17)11-9-1-3-14-6-10(9)21-13(11)22(18,19)15-5-8-2-4-20-7-8/h2,4,7,14-15H,1,3,5-6H2,(H,16,17)
InChIKeyFMNWSBGBEACDKP-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.63
Rot. Bonds5

About 2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 56750071) has the molecular formula C13H14N2O4S3 and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID56750071
Molecular FormulaC13H14N2O4S3
Molecular Weight358.47 g/mol
Exact Mass358.01
IUPAC Name2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(S(=O)(=O)NCc2ccsc2)sc2c1CCNC2
InChIInChI=1S/C13H14N2O4S3/c16-12(17)11-9-1-3-14-6-10(9)21-13(11)22(18,19)15-5-8-2-4-20-7-8/h2,4,7,14-15H,1,3,5-6H2,(H,16,17)
InChIKeyFMNWSBGBEACDKP-UHFFFAOYSA-N
XLogP1.63
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (CID 56750071) is 2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is O=C(O)c1c(S(=O)(=O)NCc2ccsc2)sc2c1CCNC2.
What is the InChIKey of 2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is FMNWSBGBEACDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S3/c16-12(17)11-9-1-3-14-6-10(9)21-13(11)22(18,19)15-5-8-2-4-20-7-8/h2,4,7,14-15H,1,3,5-6H2,(H,16,17).
What are the key properties of 2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 358.47 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56750071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).