5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid

C9H13NO2S2 — CID 66244725

IUPAC5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid
SMILESCC(CN)SCc1ccc(C(=O)O)s1
InChIInChI=1S/C9H13NO2S2/c1-6(4-10)13-5-7-2-3-8(14-7)9(11)12/h2-3,6H,4-5,10H2,1H3,(H,11,12)
InChIKeySSWKZCHFGKTAIR-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.03
Rot. Bonds5

About 5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid

5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid (PubChem CID 66244725) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid
PubChem CID66244725
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC Name5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid
SMILESCC(CN)SCc1ccc(C(=O)O)s1
InChIInChI=1S/C9H13NO2S2/c1-6(4-10)13-5-7-2-3-8(14-7)9(11)12/h2-3,6H,4-5,10H2,1H3,(H,11,12)
InChIKeySSWKZCHFGKTAIR-UHFFFAOYSA-N
XLogP2.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(1-aminopropan-2-ylsulfanylmethyl)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-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid (CID 66244725) is 5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid is CC(CN)SCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid?
The InChIKey is SSWKZCHFGKTAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S2/c1-6(4-10)13-5-7-2-3-8(14-7)9(11)12/h2-3,6H,4-5,10H2,1H3,(H,11,12).
What are the key properties of 5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid?
5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid has a molecular weight of 231.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-ylsulfanylmethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 66244725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).