N-(2-trimethylsilylsulfanylphenyl)pentan-1-imine

C14H23NSSi — CID 140768343

IUPACN-(2-trimethylsilylsulfanylphenyl)pentan-1-imine
SMILESCCCC/C=N/c1ccccc1S[Si](C)(C)C
InChIInChI=1S/C14H23NSSi/c1-5-6-9-12-15-13-10-7-8-11-14(13)16-17(2,3)4/h7-8,10-12H,5-6,9H2,1-4H3/b15-12+
InChIKeyVWNSTQMVUJBNJN-NTCAYCPXSA-N
MW265.50 g/mol
LogP5.51
Rot. Bonds6

About N-(2-trimethylsilylsulfanylphenyl)pentan-1-imine

N-(2-trimethylsilylsulfanylphenyl)pentan-1-imine (PubChem CID 140768343) has the molecular formula C14H23NSSi and a molecular weight of 265.50 g/mol. Its IUPAC name is N-(2-trimethylsilylsulfanylphenyl)pentan-1-imine.

Molecular Properties

Compound NameN-(2-trimethylsilylsulfanylphenyl)pentan-1-imine
PubChem CID140768343
Molecular FormulaC14H23NSSi
Molecular Weight265.50 g/mol
Exact Mass265.13
IUPAC NameN-(2-trimethylsilylsulfanylphenyl)pentan-1-imine
SMILESCCCC/C=N/c1ccccc1S[Si](C)(C)C
InChIInChI=1S/C14H23NSSi/c1-5-6-9-12-15-13-10-7-8-11-14(13)16-17(2,3)4/h7-8,10-12H,5-6,9H2,1-4H3/b15-12+
InChIKeyVWNSTQMVUJBNJN-NTCAYCPXSA-N
XLogP5.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.50
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-trimethylsilylsulfanylphenyl)pentan-1-imine?
The IUPAC name of N-(2-trimethylsilylsulfanylphenyl)pentan-1-imine (CID 140768343) is N-(2-trimethylsilylsulfanylphenyl)pentan-1-imine.
What is the SMILES notation for N-(2-trimethylsilylsulfanylphenyl)pentan-1-imine?
The canonical SMILES for N-(2-trimethylsilylsulfanylphenyl)pentan-1-imine is CCCC/C=N/c1ccccc1S[Si](C)(C)C.
What is the InChIKey of N-(2-trimethylsilylsulfanylphenyl)pentan-1-imine?
The InChIKey is VWNSTQMVUJBNJN-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H23NSSi/c1-5-6-9-12-15-13-10-7-8-11-14(13)16-17(2,3)4/h7-8,10-12H,5-6,9H2,1-4H3/b15-12+.
What are the key properties of N-(2-trimethylsilylsulfanylphenyl)pentan-1-imine?
N-(2-trimethylsilylsulfanylphenyl)pentan-1-imine has a molecular weight of 265.50 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-trimethylsilylsulfanylphenyl)pentan-1-imine is sourced from PubChem (CID 140768343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).