(E)-N-methyl-3-methylsulfanylbut-2-en-1-imine

C6H11NS — CID 126542848

IUPAC(E)-N-methyl-3-methylsulfanylbut-2-en-1-imine
SMILESC/N=C/C=C(\C)SC
InChIInChI=1S/C6H11NS/c1-6(8-3)4-5-7-2/h4-5H,1-3H3/b6-4+,7-5+
InChIKeyULGPFSQTHZTGME-YDFGWWAZSA-N
MW129.23 g/mol
LogP1.95
Rot. Bonds2

About (E)-N-methyl-3-methylsulfanylbut-2-en-1-imine

(E)-N-methyl-3-methylsulfanylbut-2-en-1-imine (PubChem CID 126542848) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (E)-N-methyl-3-methylsulfanylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-methyl-3-methylsulfanylbut-2-en-1-imine
PubChem CID126542848
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(E)-N-methyl-3-methylsulfanylbut-2-en-1-imine
SMILESC/N=C/C=C(\C)SC
InChIInChI=1S/C6H11NS/c1-6(8-3)4-5-7-2/h4-5H,1-3H3/b6-4+,7-5+
InChIKeyULGPFSQTHZTGME-YDFGWWAZSA-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 (E)-N-methyl-3-methylsulfanylbut-2-en-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 (E)-N-methyl-3-methylsulfanylbut-2-en-1-imine?
The IUPAC name of (E)-N-methyl-3-methylsulfanylbut-2-en-1-imine (CID 126542848) is (E)-N-methyl-3-methylsulfanylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-methyl-3-methylsulfanylbut-2-en-1-imine?
The canonical SMILES for (E)-N-methyl-3-methylsulfanylbut-2-en-1-imine is C/N=C/C=C(\C)SC.
What is the InChIKey of (E)-N-methyl-3-methylsulfanylbut-2-en-1-imine?
The InChIKey is ULGPFSQTHZTGME-YDFGWWAZSA-N. The full InChI is InChI=1S/C6H11NS/c1-6(8-3)4-5-7-2/h4-5H,1-3H3/b6-4+,7-5+.
What are the key properties of (E)-N-methyl-3-methylsulfanylbut-2-en-1-imine?
(E)-N-methyl-3-methylsulfanylbut-2-en-1-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 (E)-N-methyl-3-methylsulfanylbut-2-en-1-imine is sourced from PubChem (CID 126542848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).