N-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine

C15H23NSSi — CID 140768262

IUPACN-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine
SMILESC[Si](C)(C)SC1CCC(=Nc2ccccc2)CC1
InChIInChI=1S/C15H23NSSi/c1-18(2,3)17-15-11-9-14(10-12-15)16-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3/b16-14-
InChIKeySOXJCTNXQDMWEL-PEZBUJJGSA-N
MW277.51 g/mol
LogP5.27
Rot. Bonds3

About N-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine

N-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine (PubChem CID 140768262) has the molecular formula C15H23NSSi and a molecular weight of 277.51 g/mol. Its IUPAC name is N-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine.

Molecular Properties

Compound NameN-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine
PubChem CID140768262
Molecular FormulaC15H23NSSi
Molecular Weight277.51 g/mol
Exact Mass277.13
IUPAC NameN-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine
SMILESC[Si](C)(C)SC1CCC(=Nc2ccccc2)CC1
InChIInChI=1S/C15H23NSSi/c1-18(2,3)17-15-11-9-14(10-12-15)16-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3/b16-14-
InChIKeySOXJCTNXQDMWEL-PEZBUJJGSA-N
XLogP5.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.51
LogP ≤ 55.27
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-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine?
The IUPAC name of N-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine (CID 140768262) is N-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine.
What is the SMILES notation for N-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine?
The canonical SMILES for N-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine is C[Si](C)(C)SC1CCC(=Nc2ccccc2)CC1.
What is the InChIKey of N-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine?
The InChIKey is SOXJCTNXQDMWEL-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H23NSSi/c1-18(2,3)17-15-11-9-14(10-12-15)16-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3/b16-14-.
What are the key properties of N-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine?
N-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine has a molecular weight of 277.51 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-trimethylsilylsulfanylcyclohexan-1-imine is sourced from PubChem (CID 140768262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).