N-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine

C16H25NSSi — CID 140768318

IUPACN-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine
SMILESC[Si](C)(C)SC1CCC/C(=N\Cc2ccccc2)C1
InChIInChI=1S/C16H25NSSi/c1-19(2,3)18-16-11-7-10-15(12-16)17-13-14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1-3H3/b17-15+
InChIKeyYQZXVBROJVVTIS-BMRADRMJSA-N
MW291.54 g/mol
LogP5.14
Rot. Bonds4

About N-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine

N-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine (PubChem CID 140768318) has the molecular formula C16H25NSSi and a molecular weight of 291.54 g/mol. Its IUPAC name is N-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine.

Molecular Properties

Compound NameN-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine
PubChem CID140768318
Molecular FormulaC16H25NSSi
Molecular Weight291.54 g/mol
Exact Mass291.15
IUPAC NameN-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine
SMILESC[Si](C)(C)SC1CCC/C(=N\Cc2ccccc2)C1
InChIInChI=1S/C16H25NSSi/c1-19(2,3)18-16-11-7-10-15(12-16)17-13-14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1-3H3/b17-15+
InChIKeyYQZXVBROJVVTIS-BMRADRMJSA-N
XLogP5.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.54
LogP ≤ 55.14
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-3-trimethylsilylsulfanylcyclohexan-1-imine?
The IUPAC name of N-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine (CID 140768318) is N-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine.
What is the SMILES notation for N-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine?
The canonical SMILES for N-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine is C[Si](C)(C)SC1CCC/C(=N\Cc2ccccc2)C1.
What is the InChIKey of N-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine?
The InChIKey is YQZXVBROJVVTIS-BMRADRMJSA-N. The full InChI is InChI=1S/C16H25NSSi/c1-19(2,3)18-16-11-7-10-15(12-16)17-13-14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1-3H3/b17-15+.
What are the key properties of N-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine?
N-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine has a molecular weight of 291.54 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine is sourced from PubChem (CID 140768318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).