trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane

C17H27NO2SSi — CID 102254531

IUPACtrimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane
SMILESC=C(C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[Si](C)(C)C
InChIInChI=1S/C17H27NO2SSi/c1-14-6-8-17(9-7-14)21(19,20)18-12-10-16(11-13-18)15(2)22(3,4)5/h6-9,16H,2,10-13H2,1,3-5H3
InChIKeyQDVGZAXQXDIEIH-UHFFFAOYSA-N
MW337.56 g/mol
LogP3.83
Rot. Bonds4

About trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane

trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane (PubChem CID 102254531) has the molecular formula C17H27NO2SSi and a molecular weight of 337.56 g/mol. Its IUPAC name is trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane.

Molecular Properties

Compound Nametrimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane
PubChem CID102254531
Molecular FormulaC17H27NO2SSi
Molecular Weight337.56 g/mol
Exact Mass337.15
IUPAC Nametrimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane
SMILESC=C(C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[Si](C)(C)C
InChIInChI=1S/C17H27NO2SSi/c1-14-6-8-17(9-7-14)21(19,20)18-12-10-16(11-13-18)15(2)22(3,4)5/h6-9,16H,2,10-13H2,1,3-5H3
InChIKeyQDVGZAXQXDIEIH-UHFFFAOYSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.56
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine
CID 134851908
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
5-methyl-1-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 82247239
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401627
N'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
CID 3457442
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane?
The IUPAC name of trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane (CID 102254531) is trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane.
What is the SMILES notation for trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane?
The canonical SMILES for trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane is C=C(C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[Si](C)(C)C.
What is the InChIKey of trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane?
The InChIKey is QDVGZAXQXDIEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2SSi/c1-14-6-8-17(9-7-14)21(19,20)18-12-10-16(11-13-18)15(2)22(3,4)5/h6-9,16H,2,10-13H2,1,3-5H3.
What are the key properties of trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane?
trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane has a molecular weight of 337.56 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane is sourced from PubChem (CID 102254531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).