N-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine

C17H21NSSi — CID 140768172

IUPACN-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine
SMILESC[Si](C)(C)Sc1cccc(/C=N/Cc2ccccc2)c1
InChIInChI=1S/C17H21NSSi/c1-20(2,3)19-17-11-7-10-16(12-17)14-18-13-15-8-5-4-6-9-15/h4-12,14H,13H2,1-3H3/b18-14+
InChIKeyLCTXJSYEBYJTSD-NBVRZTHBSA-N
MW299.51 g/mol
LogP5.23
Rot. Bonds5

About N-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine

N-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine (PubChem CID 140768172) has the molecular formula C17H21NSSi and a molecular weight of 299.51 g/mol. Its IUPAC name is N-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine
PubChem CID140768172
Molecular FormulaC17H21NSSi
Molecular Weight299.51 g/mol
Exact Mass299.12
IUPAC NameN-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine
SMILESC[Si](C)(C)Sc1cccc(/C=N/Cc2ccccc2)c1
InChIInChI=1S/C17H21NSSi/c1-20(2,3)19-17-11-7-10-16(12-17)14-18-13-15-8-5-4-6-9-15/h4-12,14H,13H2,1-3H3/b18-14+
InChIKeyLCTXJSYEBYJTSD-NBVRZTHBSA-N
XLogP5.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.51
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine?
The IUPAC name of N-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine (CID 140768172) is N-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine.
What is the SMILES notation for N-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine?
The canonical SMILES for N-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine is C[Si](C)(C)Sc1cccc(/C=N/Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine?
The InChIKey is LCTXJSYEBYJTSD-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H21NSSi/c1-20(2,3)19-17-11-7-10-16(12-17)14-18-13-15-8-5-4-6-9-15/h4-12,14H,13H2,1-3H3/b18-14+.
What are the key properties of N-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine?
N-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine has a molecular weight of 299.51 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine is sourced from PubChem (CID 140768172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).