5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid

C13H19NO4S2 — CID 107416766

IUPAC5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCC1CCCC1C
InChIInChI=1S/C13H19NO4S2/c1-8-4-3-5-10(8)7-14-20(17,18)12-6-11(13(15)16)19-9(12)2/h6,8,10,14H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyATGQPMLQPWSINQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.47
Rot. Bonds5

About 5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid

5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 107416766) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID107416766
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Name5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCC1CCCC1C
InChIInChI=1S/C13H19NO4S2/c1-8-4-3-5-10(8)7-14-20(17,18)12-6-11(13(15)16)19-9(12)2/h6,8,10,14H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyATGQPMLQPWSINQ-UHFFFAOYSA-N
XLogP2.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]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

4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106120685
5-(aminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088377
4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63329014
5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide
CID 107421025
2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride
CID 107421002
4-(cyclohex-3-en-1-ylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328574
4-(2,3-dimethylpiperidin-1-yl)sulfonyl-5-methylthiophene-2-carboxylic acid
CID 63328876
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114155436
4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 55203054

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 107416766) is 5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NCC1CCCC1C.
What is the InChIKey of 5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ATGQPMLQPWSINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-8-4-3-5-10(8)7-14-20(17,18)12-6-11(13(15)16)19-9(12)2/h6,8,10,14H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid?
5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 107416766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).