3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid

C9H10N2O4S2 — CID 43089813

IUPAC3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CCC#N)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C9H10N2O4S2/c1-11(5-2-4-10)17(14,15)7-3-6-16-8(7)9(12)13/h3,6H,2,5H2,1H3,(H,12,13)
InChIKeyAUWWAUIFQBVWTR-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.98
Rot. Bonds5

About 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid

3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43089813) has the molecular formula C9H10N2O4S2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43089813
Molecular FormulaC9H10N2O4S2
Molecular Weight274.32 g/mol
Exact Mass274.01
IUPAC Name3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CCC#N)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C9H10N2O4S2/c1-11(5-2-4-10)17(14,15)7-3-6-16-8(7)9(12)13/h3,6H,2,5H2,1H3,(H,12,13)
InChIKeyAUWWAUIFQBVWTR-UHFFFAOYSA-N
XLogP0.98
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43089813) is 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid is CN(CCC#N)S(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is AUWWAUIFQBVWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S2/c1-11(5-2-4-10)17(14,15)7-3-6-16-8(7)9(12)13/h3,6H,2,5H2,1H3,(H,12,13).
What are the key properties of 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43089813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).