N-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine

C7H13NS — CID 154471478

IUPACN-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine
SMILESC/C=N/C=C(/C)SCC
InChIInChI=1S/C7H13NS/c1-4-8-6-7(3)9-5-2/h4,6H,5H2,1-3H3/b7-6-,8-4+
InChIKeyXCSLRIZNLCHBIA-AKAREZBESA-N
MW143.25 g/mol
LogP2.69
Rot. Bonds3

About N-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine

N-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine (PubChem CID 154471478) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is N-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine
PubChem CID154471478
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC NameN-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine
SMILESC/C=N/C=C(/C)SCC
InChIInChI=1S/C7H13NS/c1-4-8-6-7(3)9-5-2/h4,6H,5H2,1-3H3/b7-6-,8-4+
InChIKeyXCSLRIZNLCHBIA-AKAREZBESA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.69
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-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine (CID 154471478) is N-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine is C/C=N/C=C(/C)SCC.
What is the InChIKey of N-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine?
The InChIKey is XCSLRIZNLCHBIA-AKAREZBESA-N. The full InChI is InChI=1S/C7H13NS/c1-4-8-6-7(3)9-5-2/h4,6H,5H2,1-3H3/b7-6-,8-4+.
What are the key properties of N-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine?
N-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine has a molecular weight of 143.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-ethylsulfanylprop-1-enyl]ethanimine is sourced from PubChem (CID 154471478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).