N-prop-1-en-2-ylsulfanylethanimine

C5H9NS — CID 123475296

IUPACN-prop-1-en-2-ylsulfanylethanimine
SMILESC=C(C)SN=CC
InChIInChI=1S/C5H9NS/c1-4-6-7-5(2)3/h4H,2H2,1,3H3
InChIKeyIAPCYSQXEFBEQQ-UHFFFAOYSA-N
MW115.20 g/mol
LogP2.26
Rot. Bonds2

About N-prop-1-en-2-ylsulfanylethanimine

N-prop-1-en-2-ylsulfanylethanimine (PubChem CID 123475296) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is N-prop-1-en-2-ylsulfanylethanimine.

Molecular Properties

Compound NameN-prop-1-en-2-ylsulfanylethanimine
PubChem CID123475296
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC NameN-prop-1-en-2-ylsulfanylethanimine
SMILESC=C(C)SN=CC
InChIInChI=1S/C5H9NS/c1-4-6-7-5(2)3/h4H,2H2,1,3H3
InChIKeyIAPCYSQXEFBEQQ-UHFFFAOYSA-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 N-prop-1-en-2-ylsulfanylethanimine with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-N-prop-1-en-2-ylsulfanylethanimine
CID 89264484
N-prop-1-enylsulfanylethanimine
CID 118029242
(Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine
CID 142086070
(E)-N-[(E)-prop-1-enyl]sulfanylethanimine
CID 143368760
ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine
CID 143372619
(Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane
CID 143767397
(Z)-N-[(Z)-but-2-en-2-yl]sulfanylpropan-1-imine
CID 145504305
ethane;(Z)-N-prop-1-en-2-ylsulfanylpropan-1-imine
CID 145627993
N-[(Z)-but-2-en-2-yl]sulfanylethanimine
CID 154043838
N-[(Z)-prop-1-enyl]sulfanylethanimine
CID 154043984
ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine
CID 168907829
(Ethylideneamino)-oxido-prop-1-en-2-ylsulfanium
CID 173466561

Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-ylsulfanylethanimine?
The IUPAC name of N-prop-1-en-2-ylsulfanylethanimine (CID 123475296) is N-prop-1-en-2-ylsulfanylethanimine.
What is the SMILES notation for N-prop-1-en-2-ylsulfanylethanimine?
The canonical SMILES for N-prop-1-en-2-ylsulfanylethanimine is C=C(C)SN=CC.
What is the InChIKey of N-prop-1-en-2-ylsulfanylethanimine?
The InChIKey is IAPCYSQXEFBEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-4-6-7-5(2)3/h4H,2H2,1,3H3.
What are the key properties of N-prop-1-en-2-ylsulfanylethanimine?
N-prop-1-en-2-ylsulfanylethanimine 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-prop-1-en-2-ylsulfanylethanimine is sourced from PubChem (CID 123475296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).