5-(3-aminopropyl)thiophene-2-carboxylic acid

C8H11NO2S — CID 22246792

IUPAC5-(3-aminopropyl)thiophene-2-carboxylic acid
SMILESNCCCc1ccc(C(=O)O)s1
InChIInChI=1S/C8H11NO2S/c9-5-1-2-6-3-4-7(12-6)8(10)11/h3-4H,1-2,5,9H2,(H,10,11)
InChIKeyNELJKPGAVPUFMI-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.34
Rot. Bonds4

About 5-(3-aminopropyl)thiophene-2-carboxylic acid

5-(3-aminopropyl)thiophene-2-carboxylic acid (PubChem CID 22246792) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-(3-aminopropyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminopropyl)thiophene-2-carboxylic acid
PubChem CID22246792
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name5-(3-aminopropyl)thiophene-2-carboxylic acid
SMILESNCCCc1ccc(C(=O)O)s1
InChIInChI=1S/C8H11NO2S/c9-5-1-2-6-3-4-7(12-6)8(10)11/h3-4H,1-2,5,9H2,(H,10,11)
InChIKeyNELJKPGAVPUFMI-UHFFFAOYSA-N
XLogP1.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-aminopropyl)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 5-(3-aminopropyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3-aminopropyl)thiophene-2-carboxylic acid (CID 22246792) is 5-(3-aminopropyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-aminopropyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-aminopropyl)thiophene-2-carboxylic acid is NCCCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-(3-aminopropyl)thiophene-2-carboxylic acid?
The InChIKey is NELJKPGAVPUFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c9-5-1-2-6-3-4-7(12-6)8(10)11/h3-4H,1-2,5,9H2,(H,10,11).
What are the key properties of 5-(3-aminopropyl)thiophene-2-carboxylic acid?
5-(3-aminopropyl)thiophene-2-carboxylic acid has a molecular weight of 185.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 22246792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).