2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride

C9H13ClNO2S- — CID 53346985

IUPAC2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride
SMILESCc1cc(C(=O)O)c(CCCN)s1.[Cl-]
InChIInChI=1S/C9H13NO2S.ClH/c1-6-5-7(9(11)12)8(13-6)3-2-4-10;/h5H,2-4,10H2,1H3,(H,11,12);1H/p-1
InChIKeyFLZYXLRZLIANCL-UHFFFAOYSA-M
MW234.73 g/mol
LogP-1.35
Rot. Bonds4

About 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride

2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride (PubChem CID 53346985) has the molecular formula C9H13ClNO2S- and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride.

Molecular Properties

Compound Name2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride
PubChem CID53346985
Molecular FormulaC9H13ClNO2S-
Molecular Weight234.73 g/mol
Exact Mass234.04
IUPAC Name2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride
SMILESCc1cc(C(=O)O)c(CCCN)s1.[Cl-]
InChIInChI=1S/C9H13NO2S.ClH/c1-6-5-7(9(11)12)8(13-6)3-2-4-10;/h5H,2-4,10H2,1H3,(H,11,12);1H/p-1
InChIKeyFLZYXLRZLIANCL-UHFFFAOYSA-M
XLogP-1.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride 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-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride?
The IUPAC name of 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride (CID 53346985) is 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride.
What is the SMILES notation for 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride?
The canonical SMILES for 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride is Cc1cc(C(=O)O)c(CCCN)s1.[Cl-].
What is the InChIKey of 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride?
The InChIKey is FLZYXLRZLIANCL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13NO2S.ClH/c1-6-5-7(9(11)12)8(13-6)3-2-4-10;/h5H,2-4,10H2,1H3,(H,11,12);1H/p-1.
What are the key properties of 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride?
2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride has a molecular weight of 234.73 g/mol, XLogP of -1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid chloride is sourced from PubChem (CID 53346985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).