(Z)-4-(methylamino)pent-3-ene-2-thione

C6H11NS — CID 87477442

IUPAC(Z)-4-(methylamino)pent-3-ene-2-thione
SMILESCN/C(C)=C\C(C)=S
InChIInChI=1S/C6H11NS/c1-5(7-3)4-6(2)8/h4,7H,1-3H3/b5-4-
InChIKeyPXHHOAYTLFJTAI-PLNGDYQASA-N
MW129.23 g/mol
LogP1.50
Rot. Bonds2

About (Z)-4-(methylamino)pent-3-ene-2-thione

(Z)-4-(methylamino)pent-3-ene-2-thione (PubChem CID 87477442) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (Z)-4-(methylamino)pent-3-ene-2-thione.

Molecular Properties

Compound Name(Z)-4-(methylamino)pent-3-ene-2-thione
PubChem CID87477442
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(Z)-4-(methylamino)pent-3-ene-2-thione
SMILESCN/C(C)=C\C(C)=S
InChIInChI=1S/C6H11NS/c1-5(7-3)4-6(2)8/h4,7H,1-3H3/b5-4-
InChIKeyPXHHOAYTLFJTAI-PLNGDYQASA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (Z)-4-(methylamino)pent-3-ene-2-thione 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)-4-(methylamino)pent-3-ene-2-thione?
The IUPAC name of (Z)-4-(methylamino)pent-3-ene-2-thione (CID 87477442) is (Z)-4-(methylamino)pent-3-ene-2-thione.
What is the SMILES notation for (Z)-4-(methylamino)pent-3-ene-2-thione?
The canonical SMILES for (Z)-4-(methylamino)pent-3-ene-2-thione is CN/C(C)=C\C(C)=S.
What is the InChIKey of (Z)-4-(methylamino)pent-3-ene-2-thione?
The InChIKey is PXHHOAYTLFJTAI-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11NS/c1-5(7-3)4-6(2)8/h4,7H,1-3H3/b5-4-.
What are the key properties of (Z)-4-(methylamino)pent-3-ene-2-thione?
(Z)-4-(methylamino)pent-3-ene-2-thione has a molecular weight of 129.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(methylamino)pent-3-ene-2-thione is sourced from PubChem (CID 87477442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).