1-ethenylsulfanylpropan-2-imine

C5H9NS — CID 123745531

IUPAC1-ethenylsulfanylpropan-2-imine
SMILES[H]/N=C(\C)CSC=C
InChIInChI=1S/C5H9NS/c1-3-7-4-5(2)6/h3,6H,1,4H2,2H3/b6-5+
InChIKeyBBUHPKOEDPTWOJ-AATRIKPKSA-N
MW115.20 g/mol
LogP1.90
Rot. Bonds3

About 1-ethenylsulfanylpropan-2-imine

1-ethenylsulfanylpropan-2-imine (PubChem CID 123745531) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 1-ethenylsulfanylpropan-2-imine.

Molecular Properties

Compound Name1-ethenylsulfanylpropan-2-imine
PubChem CID123745531
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name1-ethenylsulfanylpropan-2-imine
SMILES[H]/N=C(\C)CSC=C
InChIInChI=1S/C5H9NS/c1-3-7-4-5(2)6/h3,6H,1,4H2,2H3/b6-5+
InChIKeyBBUHPKOEDPTWOJ-AATRIKPKSA-N
XLogP1.90
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethenylsulfanylpropan-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

Related Compounds

ethane;3-ethenylsulfanyl-2-methylprop-1-ene
CID 144862309
3-iminobutan-1-ol
CID 54468047
5,5-dimethylhept-6-en-2-imine
CID 146447391
3-iminobutanimidoyl bromide
CID 118688687
azane;5,5-dimethylhept-6-en-2-imine
CID 146447390
4-methylhept-6-en-2-imine
CID 123395995
(E)-hex-4-en-2-imine
CID 15835471
5-methylhept-5-en-2-imine
CID 123766869
(4E)-4,7-dimethyldeca-4,7,9-trien-2-imine
CID 123322065
ethenylsulfanylmethanol
CID 71341626
1-(1-pyrrolidin-2-ylethenylsulfanyl)propan-2-imine
CID 123408001
heptan-2-imine;propane;tungsten
CID 57359574

Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfanylpropan-2-imine?
The IUPAC name of 1-ethenylsulfanylpropan-2-imine (CID 123745531) is 1-ethenylsulfanylpropan-2-imine.
What is the SMILES notation for 1-ethenylsulfanylpropan-2-imine?
The canonical SMILES for 1-ethenylsulfanylpropan-2-imine is [H]/N=C(\C)CSC=C.
What is the InChIKey of 1-ethenylsulfanylpropan-2-imine?
The InChIKey is BBUHPKOEDPTWOJ-AATRIKPKSA-N. The full InChI is InChI=1S/C5H9NS/c1-3-7-4-5(2)6/h3,6H,1,4H2,2H3/b6-5+.
What are the key properties of 1-ethenylsulfanylpropan-2-imine?
1-ethenylsulfanylpropan-2-imine has a molecular weight of 115.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfanylpropan-2-imine is sourced from PubChem (CID 123745531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).