2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride

C9H14ClNO2S — CID 2832735

IUPAC2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride
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
InChIKeyFLZYXLRZLIANCL-UHFFFAOYSA-N
MW235.74 g/mol
LogP2.07
Rot. Bonds4

About 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride

2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride (PubChem CID 2832735) has the molecular formula C9H14ClNO2S and a molecular weight of 235.74 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride
PubChem CID2832735
Molecular FormulaC9H14ClNO2S
Molecular Weight235.74 g/mol
Exact Mass235.04
IUPAC Name2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride
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
InChIKeyFLZYXLRZLIANCL-UHFFFAOYSA-N
XLogP2.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride (CID 2832735) is 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride is Cc1cc(C(=O)O)c(CCCN)s1.Cl.
What is the InChIKey of 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride?
The InChIKey is FLZYXLRZLIANCL-UHFFFAOYSA-N. 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.
What are the key properties of 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride?
2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid;hydrochloride has a molecular weight of 235.74 g/mol, XLogP of 2.07, 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;hydrochloride is sourced from PubChem (CID 2832735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).