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

C5H9NS — CID 154043984

IUPACN-[(Z)-prop-1-enyl]sulfanylethanimine
SMILESCC=NS/C=C\C
InChIInChI=1S/C5H9NS/c1-3-5-7-6-4-2/h3-5H,1-2H3/b5-3-,6-4?
InChIKeyCEOQZUSWKHVLTA-COQNZLLUSA-N
MW115.20 g/mol
LogP2.26
Rot. Bonds2

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

N-[(Z)-prop-1-enyl]sulfanylethanimine (PubChem CID 154043984) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]sulfanylethanimine.

Molecular Properties

Compound NameN-[(Z)-prop-1-enyl]sulfanylethanimine
PubChem CID154043984
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC NameN-[(Z)-prop-1-enyl]sulfanylethanimine
SMILESCC=NS/C=C\C
InChIInChI=1S/C5H9NS/c1-3-5-7-6-4-2/h3-5H,1-2H3/b5-3-,6-4?
InChIKeyCEOQZUSWKHVLTA-COQNZLLUSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-prop-1-enyl]sulfanylethanimine?
The IUPAC name of N-[(Z)-prop-1-enyl]sulfanylethanimine (CID 154043984) is N-[(Z)-prop-1-enyl]sulfanylethanimine.
What is the SMILES notation for N-[(Z)-prop-1-enyl]sulfanylethanimine?
The canonical SMILES for N-[(Z)-prop-1-enyl]sulfanylethanimine is CC=NS/C=C\C.
What is the InChIKey of N-[(Z)-prop-1-enyl]sulfanylethanimine?
The InChIKey is CEOQZUSWKHVLTA-COQNZLLUSA-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 N-[(Z)-prop-1-enyl]sulfanylethanimine?
N-[(Z)-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 N-[(Z)-prop-1-enyl]sulfanylethanimine is sourced from PubChem (CID 154043984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).