2-(thiophen-3-ylamino)hexanoic acid

C10H15NO2S — CID 103255804

IUPAC2-(thiophen-3-ylamino)hexanoic acid
SMILESCCCCC(Nc1ccsc1)C(=O)O
InChIInChI=1S/C10H15NO2S/c1-2-3-4-9(10(12)13)11-8-5-6-14-7-8/h5-7,9,11H,2-4H2,1H3,(H,12,13)
InChIKeyHCCAKBYWDPMSNF-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.80
Rot. Bonds6

About 2-(thiophen-3-ylamino)hexanoic acid

2-(thiophen-3-ylamino)hexanoic acid (PubChem CID 103255804) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(thiophen-3-ylamino)hexanoic acid.

Molecular Properties

Compound Name2-(thiophen-3-ylamino)hexanoic acid
PubChem CID103255804
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(thiophen-3-ylamino)hexanoic acid
SMILESCCCCC(Nc1ccsc1)C(=O)O
InChIInChI=1S/C10H15NO2S/c1-2-3-4-9(10(12)13)11-8-5-6-14-7-8/h5-7,9,11H,2-4H2,1H3,(H,12,13)
InChIKeyHCCAKBYWDPMSNF-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(thiophen-3-ylamino)hexanoic 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 2-(thiophen-3-ylamino)hexanoic acid?
The IUPAC name of 2-(thiophen-3-ylamino)hexanoic acid (CID 103255804) is 2-(thiophen-3-ylamino)hexanoic acid.
What is the SMILES notation for 2-(thiophen-3-ylamino)hexanoic acid?
The canonical SMILES for 2-(thiophen-3-ylamino)hexanoic acid is CCCCC(Nc1ccsc1)C(=O)O.
What is the InChIKey of 2-(thiophen-3-ylamino)hexanoic acid?
The InChIKey is HCCAKBYWDPMSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-3-4-9(10(12)13)11-8-5-6-14-7-8/h5-7,9,11H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-(thiophen-3-ylamino)hexanoic acid?
2-(thiophen-3-ylamino)hexanoic acid has a molecular weight of 213.30 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-ylamino)hexanoic acid is sourced from PubChem (CID 103255804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).