N-(5-methylsulfanylpent-1-en-3-yl)ethanimine

C8H15NS — CID 89295332

IUPACN-(5-methylsulfanylpent-1-en-3-yl)ethanimine
SMILESC=CC(CCSC)/N=C/C
InChIInChI=1S/C8H15NS/c1-4-8(9-5-2)6-7-10-3/h4-5,8H,1,6-7H2,2-3H3/b9-5+
InChIKeyIAWZOTWKJUHGTH-WEVVVXLNSA-N
MW157.28 g/mol
LogP2.38
Rot. Bonds5

About N-(5-methylsulfanylpent-1-en-3-yl)ethanimine

N-(5-methylsulfanylpent-1-en-3-yl)ethanimine (PubChem CID 89295332) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-(5-methylsulfanylpent-1-en-3-yl)ethanimine.

Molecular Properties

Compound NameN-(5-methylsulfanylpent-1-en-3-yl)ethanimine
PubChem CID89295332
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-(5-methylsulfanylpent-1-en-3-yl)ethanimine
SMILESC=CC(CCSC)/N=C/C
InChIInChI=1S/C8H15NS/c1-4-8(9-5-2)6-7-10-3/h4-5,8H,1,6-7H2,2-3H3/b9-5+
InChIKeyIAWZOTWKJUHGTH-WEVVVXLNSA-N
XLogP2.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanylpent-1-en-3-yl)ethanimine?
The IUPAC name of N-(5-methylsulfanylpent-1-en-3-yl)ethanimine (CID 89295332) is N-(5-methylsulfanylpent-1-en-3-yl)ethanimine.
What is the SMILES notation for N-(5-methylsulfanylpent-1-en-3-yl)ethanimine?
The canonical SMILES for N-(5-methylsulfanylpent-1-en-3-yl)ethanimine is C=CC(CCSC)/N=C/C.
What is the InChIKey of N-(5-methylsulfanylpent-1-en-3-yl)ethanimine?
The InChIKey is IAWZOTWKJUHGTH-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H15NS/c1-4-8(9-5-2)6-7-10-3/h4-5,8H,1,6-7H2,2-3H3/b9-5+.
What are the key properties of N-(5-methylsulfanylpent-1-en-3-yl)ethanimine?
N-(5-methylsulfanylpent-1-en-3-yl)ethanimine has a molecular weight of 157.28 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanylpent-1-en-3-yl)ethanimine is sourced from PubChem (CID 89295332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).