(E)-N-[(E)-prop-1-enyl]sulfanylethanimine

C5H9NS — CID 143368760

IUPAC(E)-N-[(E)-prop-1-enyl]sulfanylethanimine
SMILESC/C=C/S/N=C/C
InChIInChI=1S/C5H9NS/c1-3-5-7-6-4-2/h3-5H,1-2H3/b5-3+,6-4+
InChIKeyCEOQZUSWKHVLTA-GGWOSOGESA-N
MW115.20 g/mol
LogP2.26
Rot. Bonds2

About (E)-N-[(E)-prop-1-enyl]sulfanylethanimine

(E)-N-[(E)-prop-1-enyl]sulfanylethanimine (PubChem CID 143368760) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is (E)-N-[(E)-prop-1-enyl]sulfanylethanimine.

Molecular Properties

Compound Name(E)-N-[(E)-prop-1-enyl]sulfanylethanimine
PubChem CID143368760
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name(E)-N-[(E)-prop-1-enyl]sulfanylethanimine
SMILESC/C=C/S/N=C/C
InChIInChI=1S/C5H9NS/c1-3-5-7-6-4-2/h3-5H,1-2H3/b5-3+,6-4+
InChIKeyCEOQZUSWKHVLTA-GGWOSOGESA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}

Analyze (E)-N-[(E)-prop-1-enyl]sulfanylethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-prop-1-enyl]sulfanylethanimine?
The IUPAC name of (E)-N-[(E)-prop-1-enyl]sulfanylethanimine (CID 143368760) is (E)-N-[(E)-prop-1-enyl]sulfanylethanimine.
What is the SMILES notation for (E)-N-[(E)-prop-1-enyl]sulfanylethanimine?
The canonical SMILES for (E)-N-[(E)-prop-1-enyl]sulfanylethanimine is C/C=C/S/N=C/C.
What is the InChIKey of (E)-N-[(E)-prop-1-enyl]sulfanylethanimine?
The InChIKey is CEOQZUSWKHVLTA-GGWOSOGESA-N. The full InChI is InChI=1S/C5H9NS/c1-3-5-7-6-4-2/h3-5H,1-2H3/b5-3+,6-4+.
What are the key properties of (E)-N-[(E)-prop-1-enyl]sulfanylethanimine?
(E)-N-[(E)-prop-1-enyl]sulfanylethanimine has a molecular weight of 115.20 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-prop-1-enyl]sulfanylethanimine is sourced from PubChem (CID 143368760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).