(Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine

C6H11NS — CID 138478171

IUPAC(Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine
SMILESC/N=C(C)/C=C\SC
InChIInChI=1S/C6H11NS/c1-6(7-2)4-5-8-3/h4-5H,1-3H3/b5-4-,7-6+
InChIKeyYPADEKHUAYOHNS-SCFJQAPRSA-N
MW129.23 g/mol
LogP1.95
Rot. Bonds2

About (Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine

(Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine (PubChem CID 138478171) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine
PubChem CID138478171
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine
SMILESC/N=C(C)/C=C\SC
InChIInChI=1S/C6H11NS/c1-6(7-2)4-5-8-3/h4-5H,1-3H3/b5-4-,7-6+
InChIKeyYPADEKHUAYOHNS-SCFJQAPRSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-methyl-4-methylsulfanylbut-3-en-2-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 (Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine?
The IUPAC name of (Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine (CID 138478171) is (Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine.
What is the SMILES notation for (Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine?
The canonical SMILES for (Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine is C/N=C(C)/C=C\SC.
What is the InChIKey of (Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine?
The InChIKey is YPADEKHUAYOHNS-SCFJQAPRSA-N. The full InChI is InChI=1S/C6H11NS/c1-6(7-2)4-5-8-3/h4-5H,1-3H3/b5-4-,7-6+.
What are the key properties of (Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine?
(Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine has a molecular weight of 129.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine is sourced from PubChem (CID 138478171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).