N-ethyl-1-(4-phenylsulfanylphenyl)ethanimine

C16H17NS — CID 143369902

IUPACN-ethyl-1-(4-phenylsulfanylphenyl)ethanimine
SMILESCC/N=C(\C)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C16H17NS/c1-3-17-13(2)14-9-11-16(12-10-14)18-15-7-5-4-6-8-15/h4-12H,3H2,1-2H3/b17-13+
InChIKeyODOGGLZSLQYVAY-GHRIWEEISA-N
MW255.39 g/mol
LogP4.67
Rot. Bonds4

About N-ethyl-1-(4-phenylsulfanylphenyl)ethanimine

N-ethyl-1-(4-phenylsulfanylphenyl)ethanimine (PubChem CID 143369902) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-ethyl-1-(4-phenylsulfanylphenyl)ethanimine.

Molecular Properties

Compound NameN-ethyl-1-(4-phenylsulfanylphenyl)ethanimine
PubChem CID143369902
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC NameN-ethyl-1-(4-phenylsulfanylphenyl)ethanimine
SMILESCC/N=C(\C)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C16H17NS/c1-3-17-13(2)14-9-11-16(12-10-14)18-15-7-5-4-6-8-15/h4-12H,3H2,1-2H3/b17-13+
InChIKeyODOGGLZSLQYVAY-GHRIWEEISA-N
XLogP4.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-Methylsulfanylphenyl)-2-phenyl-6,7-dihydro-5h-1,4-diazepine
CID 44563840
1-[4-(Phenylthio)phenyl]ethanone oxime
CID 2740305
(NZ)-N-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine
CID 5703337
(NE)-N-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]hydroxylamine
CID 18183638
(Z)-1-(4-fluorophenyl)-N-methoxy-4-(4-methylphenyl)sulfanylbutan-1-imine
CID 19996199
N-benzyl-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanimine
CID 20728938
1-(4-fluorophenyl)-N-methoxy-4-(4-methylphenyl)sulfanylbutan-1-imine
CID 54260561
5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole
CID 58915344
(2R)-2-[(1E,3E,5Z)-4-[4-(difluoromethylsulfanyl)phenyl]hepta-1,3,5-trienyl]-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 142128955
(2S,3R)-2-(fluoromethyl)-3-[4-(iodomethylsulfanyl)phenyl]-5-phenyl-3,4-dihydro-2H-pyrrole
CID 143077833
2-(3-Fluoro-4-methylsulfanylphenyl)-4-methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 145076177
1-(3-fluorophenyl)-N-[(4-methylphenyl)sulfonylmethyl]propan-1-imine
CID 160227338

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-phenylsulfanylphenyl)ethanimine?
The IUPAC name of N-ethyl-1-(4-phenylsulfanylphenyl)ethanimine (CID 143369902) is N-ethyl-1-(4-phenylsulfanylphenyl)ethanimine.
What is the SMILES notation for N-ethyl-1-(4-phenylsulfanylphenyl)ethanimine?
The canonical SMILES for N-ethyl-1-(4-phenylsulfanylphenyl)ethanimine is CC/N=C(\C)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of N-ethyl-1-(4-phenylsulfanylphenyl)ethanimine?
The InChIKey is ODOGGLZSLQYVAY-GHRIWEEISA-N. The full InChI is InChI=1S/C16H17NS/c1-3-17-13(2)14-9-11-16(12-10-14)18-15-7-5-4-6-8-15/h4-12H,3H2,1-2H3/b17-13+.
What are the key properties of N-ethyl-1-(4-phenylsulfanylphenyl)ethanimine?
N-ethyl-1-(4-phenylsulfanylphenyl)ethanimine has a molecular weight of 255.39 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-phenylsulfanylphenyl)ethanimine is sourced from PubChem (CID 143369902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).