N,2-diphenyl-2-phenylsulfanylethenimine

C20H15NS — CID 12863046

IUPACN,2-diphenyl-2-phenylsulfanylethenimine
SMILESC(=Nc1ccccc1)=C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H15NS/c1-4-10-17(11-5-1)20(22-19-14-8-3-9-15-19)16-21-18-12-6-2-7-13-18/h1-15H
InChIKeyCXBLRMWVFBNRAI-UHFFFAOYSA-N
MW301.41 g/mol
LogP5.82
Rot. Bonds4

About N,2-diphenyl-2-phenylsulfanylethenimine

N,2-diphenyl-2-phenylsulfanylethenimine (PubChem CID 12863046) has the molecular formula C20H15NS and a molecular weight of 301.41 g/mol. Its IUPAC name is N,2-diphenyl-2-phenylsulfanylethenimine.

Molecular Properties

Compound NameN,2-diphenyl-2-phenylsulfanylethenimine
PubChem CID12863046
Molecular FormulaC20H15NS
Molecular Weight301.41 g/mol
Exact Mass301.09
IUPAC NameN,2-diphenyl-2-phenylsulfanylethenimine
SMILESC(=Nc1ccccc1)=C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H15NS/c1-4-10-17(11-5-1)20(22-19-14-8-3-9-15-19)16-21-18-12-6-2-7-13-18/h1-15H
InChIKeyCXBLRMWVFBNRAI-UHFFFAOYSA-N
XLogP5.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.41
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,2-diphenyl-2-phenylsulfanylethenimine 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 N,2-diphenyl-2-phenylsulfanylethenimine?
The IUPAC name of N,2-diphenyl-2-phenylsulfanylethenimine (CID 12863046) is N,2-diphenyl-2-phenylsulfanylethenimine.
What is the SMILES notation for N,2-diphenyl-2-phenylsulfanylethenimine?
The canonical SMILES for N,2-diphenyl-2-phenylsulfanylethenimine is C(=Nc1ccccc1)=C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N,2-diphenyl-2-phenylsulfanylethenimine?
The InChIKey is CXBLRMWVFBNRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NS/c1-4-10-17(11-5-1)20(22-19-14-8-3-9-15-19)16-21-18-12-6-2-7-13-18/h1-15H.
What are the key properties of N,2-diphenyl-2-phenylsulfanylethenimine?
N,2-diphenyl-2-phenylsulfanylethenimine has a molecular weight of 301.41 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-2-phenylsulfanylethenimine is sourced from PubChem (CID 12863046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).