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

C9H13NO2S — CID 659266

IUPAC2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(CCCN)s1
InChIInChI=1S/C9H13NO2S/c1-6-5-7(9(11)12)8(13-6)3-2-4-10/h5H,2-4,10H2,1H3,(H,11,12)
InChIKeyQTOOFVHNLJNCHA-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.65
Rot. Bonds4

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

2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid (PubChem CID 659266) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid
PubChem CID659266
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(CCCN)s1
InChIInChI=1S/C9H13NO2S/c1-6-5-7(9(11)12)8(13-6)3-2-4-10/h5H,2-4,10H2,1H3,(H,11,12)
InChIKeyQTOOFVHNLJNCHA-UHFFFAOYSA-N
XLogP1.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.65
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?
The IUPAC name of 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid (CID 659266) is 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(CCCN)s1.
What is the InChIKey of 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid?
The InChIKey is QTOOFVHNLJNCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-5-7(9(11)12)8(13-6)3-2-4-10/h5H,2-4,10H2,1H3,(H,11,12).
What are the key properties of 2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid?
2-(3-aminopropyl)-5-methylthiophene-3-carboxylic acid has a molecular weight of 199.28 g/mol, XLogP of 1.65, 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 is sourced from PubChem (CID 659266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).