(2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine

C8H13NS — CID 173494039

IUPAC(2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine
SMILESC=C/C(C)=C\C=NCSC
InChIInChI=1S/C8H13NS/c1-4-8(2)5-6-9-7-10-3/h4-6H,1,7H2,2-3H3/b8-5-,9-6?
InChIKeyVAQGBAOQSDSJCF-TWBWROSTSA-N
MW155.27 g/mol
LogP2.51
Rot. Bonds4

About (2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine

(2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine (PubChem CID 173494039) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is (2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine
PubChem CID173494039
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name(2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine
SMILESC=C/C(C)=C\C=NCSC
InChIInChI=1S/C8H13NS/c1-4-8(2)5-6-9-7-10-3/h4-6H,1,7H2,2-3H3/b8-5-,9-6?
InChIKeyVAQGBAOQSDSJCF-TWBWROSTSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine 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 (2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine (CID 173494039) is (2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine is C=C/C(C)=C\C=NCSC.
What is the InChIKey of (2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine?
The InChIKey is VAQGBAOQSDSJCF-TWBWROSTSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-8(2)5-6-9-7-10-3/h4-6H,1,7H2,2-3H3/b8-5-,9-6?.
What are the key properties of (2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine?
(2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine has a molecular weight of 155.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 173494039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).