N-prop-1-enylsulfanylethanimine

C5H9NS — CID 118029242

IUPACN-prop-1-enylsulfanylethanimine
SMILESCC=CSN=CC
InChIInChI=1S/C5H9NS/c1-3-5-7-6-4-2/h3-5H,1-2H3
InChIKeyCEOQZUSWKHVLTA-UHFFFAOYSA-N
MW115.20 g/mol
LogP2.26
Rot. Bonds2

About N-prop-1-enylsulfanylethanimine

N-prop-1-enylsulfanylethanimine (PubChem CID 118029242) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is N-prop-1-enylsulfanylethanimine.

Molecular Properties

Compound NameN-prop-1-enylsulfanylethanimine
PubChem CID118029242
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC NameN-prop-1-enylsulfanylethanimine
SMILESCC=CSN=CC
InChIInChI=1S/C5H9NS/c1-3-5-7-6-4-2/h3-5H,1-2H3
InChIKeyCEOQZUSWKHVLTA-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'}

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Related Compounds

6H-thiazine
CID 21865221
(Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine
CID 88945658
(Z)-N-prop-1-en-2-ylsulfanylethanimine
CID 89264484
N-ethylsulfanylprop-2-en-1-imine
CID 90713524
N-ethenylsulfanylpropan-1-imine
CID 123315797
N-methylsulfanylprop-2-en-1-imine
CID 123371290
N-ethenylsulfanylprop-2-en-1-imine
CID 123442524
N-prop-1-en-2-ylsulfanylethanimine
CID 123475296
N-methylsulfanylbut-2-en-1-imine
CID 123507241
N-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine
CID 123552842
2-ethylidene-3H-1,2-thiazol-2-ium
CID 124019220
(Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine
CID 142086070

Frequently Asked Questions

What is the IUPAC name of N-prop-1-enylsulfanylethanimine?
The IUPAC name of N-prop-1-enylsulfanylethanimine (CID 118029242) is N-prop-1-enylsulfanylethanimine.
What is the SMILES notation for N-prop-1-enylsulfanylethanimine?
The canonical SMILES for N-prop-1-enylsulfanylethanimine is CC=CSN=CC.
What is the InChIKey of N-prop-1-enylsulfanylethanimine?
The InChIKey is CEOQZUSWKHVLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-3-5-7-6-4-2/h3-5H,1-2H3.
What are the key properties of N-prop-1-enylsulfanylethanimine?
N-prop-1-enylsulfanylethanimine 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-enylsulfanylethanimine is sourced from PubChem (CID 118029242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).