N-(1-methylsulfanylprop-1-en-2-yl)ethanimine

C6H11NS — CID 123269984

IUPACN-(1-methylsulfanylprop-1-en-2-yl)ethanimine
SMILESC/C=N/C(C)=CSC
InChIInChI=1S/C6H11NS/c1-4-7-6(2)5-8-3/h4-5H,1-3H3/b6-5?,7-4+
InChIKeyJKPSDIJZKCMROF-YYOJXJPWSA-N
MW129.23 g/mol
LogP2.30
Rot. Bonds2

About N-(1-methylsulfanylprop-1-en-2-yl)ethanimine

N-(1-methylsulfanylprop-1-en-2-yl)ethanimine (PubChem CID 123269984) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is N-(1-methylsulfanylprop-1-en-2-yl)ethanimine.

Molecular Properties

Compound NameN-(1-methylsulfanylprop-1-en-2-yl)ethanimine
PubChem CID123269984
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC NameN-(1-methylsulfanylprop-1-en-2-yl)ethanimine
SMILESC/C=N/C(C)=CSC
InChIInChI=1S/C6H11NS/c1-4-7-6(2)5-8-3/h4-5H,1-3H3/b6-5?,7-4+
InChIKeyJKPSDIJZKCMROF-YYOJXJPWSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylprop-1-en-2-yl)ethanimine?
The IUPAC name of N-(1-methylsulfanylprop-1-en-2-yl)ethanimine (CID 123269984) is N-(1-methylsulfanylprop-1-en-2-yl)ethanimine.
What is the SMILES notation for N-(1-methylsulfanylprop-1-en-2-yl)ethanimine?
The canonical SMILES for N-(1-methylsulfanylprop-1-en-2-yl)ethanimine is C/C=N/C(C)=CSC.
What is the InChIKey of N-(1-methylsulfanylprop-1-en-2-yl)ethanimine?
The InChIKey is JKPSDIJZKCMROF-YYOJXJPWSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-7-6(2)5-8-3/h4-5H,1-3H3/b6-5?,7-4+.
What are the key properties of N-(1-methylsulfanylprop-1-en-2-yl)ethanimine?
N-(1-methylsulfanylprop-1-en-2-yl)ethanimine has a molecular weight of 129.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylprop-1-en-2-yl)ethanimine is sourced from PubChem (CID 123269984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).