4-ethenylthietan-2-amine

C5H9NS — CID 118370056

IUPAC4-ethenylthietan-2-amine
SMILESC=CC1CC(N)S1
InChIInChI=1S/C5H9NS/c1-2-4-3-5(6)7-4/h2,4-5H,1,3,6H2
InChIKeyFPMCVZQELMKKJB-UHFFFAOYSA-N
MW115.20 g/mol
LogP0.96
Rot. Bonds1

About 4-ethenylthietan-2-amine

4-ethenylthietan-2-amine (PubChem CID 118370056) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 4-ethenylthietan-2-amine.

Molecular Properties

Compound Name4-ethenylthietan-2-amine
PubChem CID118370056
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name4-ethenylthietan-2-amine
SMILESC=CC1CC(N)S1
InChIInChI=1S/C5H9NS/c1-2-4-3-5(6)7-4/h2,4-5H,1,3,6H2
InChIKeyFPMCVZQELMKKJB-UHFFFAOYSA-N
XLogP0.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenylthietan-2-amine 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 4-ethenylthietan-2-amine?
The IUPAC name of 4-ethenylthietan-2-amine (CID 118370056) is 4-ethenylthietan-2-amine.
What is the SMILES notation for 4-ethenylthietan-2-amine?
The canonical SMILES for 4-ethenylthietan-2-amine is C=CC1CC(N)S1.
What is the InChIKey of 4-ethenylthietan-2-amine?
The InChIKey is FPMCVZQELMKKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-2-4-3-5(6)7-4/h2,4-5H,1,3,6H2.
What are the key properties of 4-ethenylthietan-2-amine?
4-ethenylthietan-2-amine has a molecular weight of 115.20 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylthietan-2-amine is sourced from PubChem (CID 118370056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).