3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide

C9H12N2OS2 — CID 103526692

IUPAC3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(SC)cc1N
InChIInChI=1S/C9H12N2OS2/c1-3-4-11-9(12)8-6(10)5-7(13-2)14-8/h3,5H,1,4,10H2,2H3,(H,11,12)
InChIKeyOIYXLUSTZWUORR-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.97
Rot. Bonds4

About 3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide

3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103526692) has the molecular formula C9H12N2OS2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103526692
Molecular FormulaC9H12N2OS2
Molecular Weight228.34 g/mol
Exact Mass228.04
IUPAC Name3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(SC)cc1N
InChIInChI=1S/C9H12N2OS2/c1-3-4-11-9(12)8-6(10)5-7(13-2)14-8/h3,5H,1,4,10H2,2H3,(H,11,12)
InChIKeyOIYXLUSTZWUORR-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide 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 3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide (CID 103526692) is 3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(SC)cc1N.
What is the InChIKey of 3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is OIYXLUSTZWUORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS2/c1-3-4-11-9(12)8-6(10)5-7(13-2)14-8/h3,5H,1,4,10H2,2H3,(H,11,12).
What are the key properties of 3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103526692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).