N-(1-ethylsulfanylethenyl)propan-1-imine

C7H13NS — CID 163794089

IUPACN-(1-ethylsulfanylethenyl)propan-1-imine
SMILESC=C(N=CCC)SCC
InChIInChI=1S/C7H13NS/c1-4-6-8-7(3)9-5-2/h6H,3-5H2,1-2H3
InChIKeyMZGWYFVQAKFGHM-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.69
Rot. Bonds4

About N-(1-ethylsulfanylethenyl)propan-1-imine

N-(1-ethylsulfanylethenyl)propan-1-imine (PubChem CID 163794089) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is N-(1-ethylsulfanylethenyl)propan-1-imine.

Molecular Properties

Compound NameN-(1-ethylsulfanylethenyl)propan-1-imine
PubChem CID163794089
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC NameN-(1-ethylsulfanylethenyl)propan-1-imine
SMILESC=C(N=CCC)SCC
InChIInChI=1S/C7H13NS/c1-4-6-8-7(3)9-5-2/h6H,3-5H2,1-2H3
InChIKeyMZGWYFVQAKFGHM-UHFFFAOYSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-(1-ethylsulfanylethenyl)propan-1-imine?
The IUPAC name of N-(1-ethylsulfanylethenyl)propan-1-imine (CID 163794089) is N-(1-ethylsulfanylethenyl)propan-1-imine.
What is the SMILES notation for N-(1-ethylsulfanylethenyl)propan-1-imine?
The canonical SMILES for N-(1-ethylsulfanylethenyl)propan-1-imine is C=C(N=CCC)SCC.
What is the InChIKey of N-(1-ethylsulfanylethenyl)propan-1-imine?
The InChIKey is MZGWYFVQAKFGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-6-8-7(3)9-5-2/h6H,3-5H2,1-2H3.
What are the key properties of N-(1-ethylsulfanylethenyl)propan-1-imine?
N-(1-ethylsulfanylethenyl)propan-1-imine has a molecular weight of 143.25 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylethenyl)propan-1-imine is sourced from PubChem (CID 163794089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).