5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid

C10H12N2O4S2 — CID 63223323

IUPAC5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(CC#N)N(C)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C10H12N2O4S2/c1-7(5-6-11)12(2)18(15,16)9-4-3-8(17-9)10(13)14/h3-4,7H,5H2,1-2H3,(H,13,14)
InChIKeyYMHMJSLAARPPGY-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.37
Rot. Bonds5

About 5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid

5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63223323) has the molecular formula C10H12N2O4S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63223323
Molecular FormulaC10H12N2O4S2
Molecular Weight288.35 g/mol
Exact Mass288.02
IUPAC Name5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(CC#N)N(C)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C10H12N2O4S2/c1-7(5-6-11)12(2)18(15,16)9-4-3-8(17-9)10(13)14/h3-4,7H,5H2,1-2H3,(H,13,14)
InChIKeyYMHMJSLAARPPGY-UHFFFAOYSA-N
XLogP1.37
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-cyanopropan-2-yl(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

Related Compounds

5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907618
5-[2-cyanoethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61028171
5-[[1-cyanopropan-2-yl(methyl)amino]methyl]thiophene-2-carboxylic acid
CID 63377933
5-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61028042
3-[1-cyanopropan-2-yl(methyl)sulfamoyl]-4-ethylbenzoic acid
CID 63223353
5-[cyanomethyl(prop-2-ynyl)sulfamoyl]thiophene-2-carboxylic acid
CID 114208701
5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907426
5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026506
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61028167
5-[1-cyanopropan-2-yl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 63223536
2-chloro-5-[1-cyanopropan-2-yl(methyl)sulfamoyl]-3-fluorobenzoic acid
CID 81450648
5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114166213

Frequently Asked Questions

What is the IUPAC name of 5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid (CID 63223323) is 5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid is CC(CC#N)N(C)S(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is YMHMJSLAARPPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S2/c1-7(5-6-11)12(2)18(15,16)9-4-3-8(17-9)10(13)14/h3-4,7H,5H2,1-2H3,(H,13,14).
What are the key properties of 5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63223323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).