N-ethenylsulfanylpropan-1-imine

C5H9NS — CID 123315797

IUPACN-ethenylsulfanylpropan-1-imine
SMILESC=CSN=CCC
InChIInChI=1S/C5H9NS/c1-3-5-6-7-4-2/h4-5H,2-3H2,1H3
InChIKeyIMHUMHJJIVMREA-UHFFFAOYSA-N
MW115.20 g/mol
LogP2.26
Rot. Bonds3

About N-ethenylsulfanylpropan-1-imine

N-ethenylsulfanylpropan-1-imine (PubChem CID 123315797) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is N-ethenylsulfanylpropan-1-imine.

Molecular Properties

Compound NameN-ethenylsulfanylpropan-1-imine
PubChem CID123315797
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC NameN-ethenylsulfanylpropan-1-imine
SMILESC=CSN=CCC
InChIInChI=1S/C5H9NS/c1-3-5-6-7-4-2/h4-5H,2-3H2,1H3
InChIKeyIMHUMHJJIVMREA-UHFFFAOYSA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenylsulfanylpropan-1-imine?
The IUPAC name of N-ethenylsulfanylpropan-1-imine (CID 123315797) is N-ethenylsulfanylpropan-1-imine.
What is the SMILES notation for N-ethenylsulfanylpropan-1-imine?
The canonical SMILES for N-ethenylsulfanylpropan-1-imine is C=CSN=CCC.
What is the InChIKey of N-ethenylsulfanylpropan-1-imine?
The InChIKey is IMHUMHJJIVMREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-3-5-6-7-4-2/h4-5H,2-3H2,1H3.
What are the key properties of N-ethenylsulfanylpropan-1-imine?
N-ethenylsulfanylpropan-1-imine has a molecular weight of 115.20 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylsulfanylpropan-1-imine is sourced from PubChem (CID 123315797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).