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

C12H17NO4S2 — CID 43090724

IUPAC3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C12H17NO4S2/c1-13(9-5-3-2-4-6-9)19(16,17)10-7-8-18-11(10)12(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyZONKVNGAJKWKPB-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.40
Rot. Bonds4

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

3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43090724) has the molecular formula C12H17NO4S2 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43090724
Molecular FormulaC12H17NO4S2
Molecular Weight303.40 g/mol
Exact Mass303.06
IUPAC Name3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C12H17NO4S2/c1-13(9-5-3-2-4-6-9)19(16,17)10-7-8-18-11(10)12(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyZONKVNGAJKWKPB-UHFFFAOYSA-N
XLogP2.40
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[cyclohexyl(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-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43090724) is 3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid is CN(C1CCCCC1)S(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ZONKVNGAJKWKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-13(9-5-3-2-4-6-9)19(16,17)10-7-8-18-11(10)12(14)15/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43090724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).