(Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine

C7H13NS — CID 118889346

IUPAC(Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine
SMILESC=C(/C=C\CSC)CN
InChIInChI=1S/C7H13NS/c1-7(6-8)4-3-5-9-2/h3-4H,1,5-6,8H2,2H3/b4-3-
InChIKeyHYMMPVGPMKBNRI-ARJAWSKDSA-N
MW143.25 g/mol
LogP1.42
Rot. Bonds4

About (Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine

(Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine (PubChem CID 118889346) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine
PubChem CID118889346
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine
SMILESC=C(/C=C\CSC)CN
InChIInChI=1S/C7H13NS/c1-7(6-8)4-3-5-9-2/h3-4H,1,5-6,8H2,2H3/b4-3-
InChIKeyHYMMPVGPMKBNRI-ARJAWSKDSA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-methylidene-5-methylsulfanylpent-3-en-1-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 (Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine?
The IUPAC name of (Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine (CID 118889346) is (Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine.
What is the SMILES notation for (Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine?
The canonical SMILES for (Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine is C=C(/C=C\CSC)CN.
What is the InChIKey of (Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine?
The InChIKey is HYMMPVGPMKBNRI-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H13NS/c1-7(6-8)4-3-5-9-2/h3-4H,1,5-6,8H2,2H3/b4-3-.
What are the key properties of (Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine?
(Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine has a molecular weight of 143.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylidene-5-methylsulfanylpent-3-en-1-amine is sourced from PubChem (CID 118889346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).