2-aminothiophene-3-carboxylic acid;butylcyclohexane

C15H25NO2S — CID 22053855

IUPAC2-aminothiophene-3-carboxylic acid;butylcyclohexane
SMILESCCCCC1CCCCC1.Nc1sccc1C(=O)O
InChIInChI=1S/C10H20.C5H5NO2S/c1-2-3-7-10-8-5-4-6-9-10;6-4-3(5(7)8)1-2-9-4/h10H,2-9H2,1H3;1-2H,6H2,(H,7,8)
InChIKeyNCCGJZWYKSJCNA-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.79
Rot. Bonds4

About 2-aminothiophene-3-carboxylic acid;butylcyclohexane

2-aminothiophene-3-carboxylic acid;butylcyclohexane (PubChem CID 22053855) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-aminothiophene-3-carboxylic acid;butylcyclohexane.

Molecular Properties

Compound Name2-aminothiophene-3-carboxylic acid;butylcyclohexane
PubChem CID22053855
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-aminothiophene-3-carboxylic acid;butylcyclohexane
SMILESCCCCC1CCCCC1.Nc1sccc1C(=O)O
InChIInChI=1S/C10H20.C5H5NO2S/c1-2-3-7-10-8-5-4-6-9-10;6-4-3(5(7)8)1-2-9-4/h10H,2-9H2,1H3;1-2H,6H2,(H,7,8)
InChIKeyNCCGJZWYKSJCNA-UHFFFAOYSA-N
XLogP4.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-aminothiophene-3-carboxylic acid;butylcyclohexane 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 2-aminothiophene-3-carboxylic acid;butylcyclohexane?
The IUPAC name of 2-aminothiophene-3-carboxylic acid;butylcyclohexane (CID 22053855) is 2-aminothiophene-3-carboxylic acid;butylcyclohexane.
What is the SMILES notation for 2-aminothiophene-3-carboxylic acid;butylcyclohexane?
The canonical SMILES for 2-aminothiophene-3-carboxylic acid;butylcyclohexane is CCCCC1CCCCC1.Nc1sccc1C(=O)O.
What is the InChIKey of 2-aminothiophene-3-carboxylic acid;butylcyclohexane?
The InChIKey is NCCGJZWYKSJCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C5H5NO2S/c1-2-3-7-10-8-5-4-6-9-10;6-4-3(5(7)8)1-2-9-4/h10H,2-9H2,1H3;1-2H,6H2,(H,7,8).
What are the key properties of 2-aminothiophene-3-carboxylic acid;butylcyclohexane?
2-aminothiophene-3-carboxylic acid;butylcyclohexane has a molecular weight of 283.44 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminothiophene-3-carboxylic acid;butylcyclohexane is sourced from PubChem (CID 22053855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).