3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid

C13H17NO3S — CID 142693223

IUPAC3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid
SMILESCC1CCC(C(=O)c2csc(C(=O)O)c2N)CC1
InChIInChI=1S/C13H17NO3S/c1-7-2-4-8(5-3-7)11(15)9-6-18-12(10(9)14)13(16)17/h6-8H,2-5,14H2,1H3,(H,16,17)
InChIKeyOATDQVCLFRKYSO-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.04
Rot. Bonds3

About 3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid

3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid (PubChem CID 142693223) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid
PubChem CID142693223
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid
SMILESCC1CCC(C(=O)c2csc(C(=O)O)c2N)CC1
InChIInChI=1S/C13H17NO3S/c1-7-2-4-8(5-3-7)11(15)9-6-18-12(10(9)14)13(16)17/h6-8H,2-5,14H2,1H3,(H,16,17)
InChIKeyOATDQVCLFRKYSO-UHFFFAOYSA-N
XLogP3.04
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-(4-methylcyclohexanecarbonyl)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-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid (CID 142693223) is 3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid is CC1CCC(C(=O)c2csc(C(=O)O)c2N)CC1.
What is the InChIKey of 3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid?
The InChIKey is OATDQVCLFRKYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-7-2-4-8(5-3-7)11(15)9-6-18-12(10(9)14)13(16)17/h6-8H,2-5,14H2,1H3,(H,16,17).
What are the key properties of 3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid?
3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 142693223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).