5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid

C11H15NO4S2 — CID 114107579

IUPAC5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC1(CNS(=O)(=O)c2ccc(C(=O)O)s2)CCC1
InChIInChI=1S/C11H15NO4S2/c1-11(5-2-6-11)7-12-18(15,16)9-4-3-8(17-9)10(13)14/h3-4,12H,2,5-7H2,1H3,(H,13,14)
InChIKeyPAXRSYVJUPJQQT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.91
Rot. Bonds5

About 5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid

5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 114107579) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID114107579
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC1(CNS(=O)(=O)c2ccc(C(=O)O)s2)CCC1
InChIInChI=1S/C11H15NO4S2/c1-11(5-2-6-11)7-12-18(15,16)9-4-3-8(17-9)10(13)14/h3-4,12H,2,5-7H2,1H3,(H,13,14)
InChIKeyPAXRSYVJUPJQQT-UHFFFAOYSA-N
XLogP1.91
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(1-methylcyclobutyl)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

5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 103965509
5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 65115857
5-[[(1-methylcyclohexyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 114095055
5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114615365
5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 62976488
5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
CID 66171444
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 114515088
5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid
CID 61026859
5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027894
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 114107579) is 5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid is CC1(CNS(=O)(=O)c2ccc(C(=O)O)s2)CCC1.
What is the InChIKey of 5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is PAXRSYVJUPJQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-11(5-2-6-11)7-12-18(15,16)9-4-3-8(17-9)10(13)14/h3-4,12H,2,5-7H2,1H3,(H,13,14).
What are the key properties of 5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid?
5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 114107579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).