3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid

C13H19NO4S2 — CID 43314452

IUPAC3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC2CCCCC2C)sc1C(=O)O
InChIInChI=1S/C13H19NO4S2/c1-8-5-3-4-6-10(8)14-20(17,18)11-7-9(2)12(19-11)13(15)16/h7-8,10,14H,3-6H2,1-2H3,(H,15,16)
InChIKeyPSBHGPQRDILSAJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.61
Rot. Bonds4

About 3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid

3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43314452) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43314452
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Name3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC2CCCCC2C)sc1C(=O)O
InChIInChI=1S/C13H19NO4S2/c1-8-5-3-4-6-10(8)14-20(17,18)11-7-9(2)12(19-11)13(15)16/h7-8,10,14H,3-6H2,1-2H3,(H,15,16)
InChIKeyPSBHGPQRDILSAJ-UHFFFAOYSA-N
XLogP2.61
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 106359339
3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43609986
5-[(2-methylcyclopentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63281765
5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43533409
3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314392
5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362494
5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311185
5-[(1-hydroxycyclopentyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 65105762
4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63277680
5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 63296460
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide
CID 84596171

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43314452) is 3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NC2CCCCC2C)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is PSBHGPQRDILSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-8-5-3-4-6-10(8)14-20(17,18)11-7-9(2)12(19-11)13(15)16/h7-8,10,14H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43314452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).