cyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate

C20H33NO2SSi — CID 68525519

IUPACcyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate
SMILESCOc1ccc(/N=C(\CCS[Si](C)(C)C)OCC2CCCCC2)cc1
InChIInChI=1S/C20H33NO2SSi/c1-22-19-12-10-18(11-13-19)21-20(14-15-24-25(2,3)4)23-16-17-8-6-5-7-9-17/h10-13,17H,5-9,14-16H2,1-4H3/b21-20+
InChIKeyXVPXZBUBRYXLHA-QZQOTICOSA-N
MW379.64 g/mol
LogP6.28
Rot. Bonds8

About cyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate

cyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate (PubChem CID 68525519) has the molecular formula C20H33NO2SSi and a molecular weight of 379.64 g/mol. Its IUPAC name is cyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate.

Molecular Properties

Compound Namecyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate
PubChem CID68525519
Molecular FormulaC20H33NO2SSi
Molecular Weight379.64 g/mol
Exact Mass379.20
IUPAC Namecyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate
SMILESCOc1ccc(/N=C(\CCS[Si](C)(C)C)OCC2CCCCC2)cc1
InChIInChI=1S/C20H33NO2SSi/c1-22-19-12-10-18(11-13-19)21-20(14-15-24-25(2,3)4)23-16-17-8-6-5-7-9-17/h10-13,17H,5-9,14-16H2,1-4H3/b21-20+
InChIKeyXVPXZBUBRYXLHA-QZQOTICOSA-N
XLogP6.28
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.64
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate?
The IUPAC name of cyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate (CID 68525519) is cyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate.
What is the SMILES notation for cyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate?
The canonical SMILES for cyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate is COc1ccc(/N=C(\CCS[Si](C)(C)C)OCC2CCCCC2)cc1.
What is the InChIKey of cyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate?
The InChIKey is XVPXZBUBRYXLHA-QZQOTICOSA-N. The full InChI is InChI=1S/C20H33NO2SSi/c1-22-19-12-10-18(11-13-19)21-20(14-15-24-25(2,3)4)23-16-17-8-6-5-7-9-17/h10-13,17H,5-9,14-16H2,1-4H3/b21-20+.
What are the key properties of cyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate?
cyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate has a molecular weight of 379.64 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate is sourced from PubChem (CID 68525519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).