1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one

C18H29NO3SSi — CID 171359974

IUPAC1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one
SMILESCC[Si](CC)(CC)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1=O
InChIInChI=1S/C18H29NO3SSi/c1-5-24(6-2,7-3)18-12-13-19(14-17(18)20)23(21,22)16-10-8-15(4)9-11-16/h8-11,18H,5-7,12-14H2,1-4H3
InChIKeyBHBAPKCMWDZXHY-UHFFFAOYSA-N
MW367.59 g/mol
LogP3.84
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one

1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one (PubChem CID 171359974) has the molecular formula C18H29NO3SSi and a molecular weight of 367.59 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one
PubChem CID171359974
Molecular FormulaC18H29NO3SSi
Molecular Weight367.59 g/mol
Exact Mass367.16
IUPAC Name1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one
SMILESCC[Si](CC)(CC)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1=O
InChIInChI=1S/C18H29NO3SSi/c1-5-24(6-2,7-3)18-12-13-19(14-17(18)20)23(21,22)16-10-8-15(4)9-11-16/h8-11,18H,5-7,12-14H2,1-4H3
InChIKeyBHBAPKCMWDZXHY-UHFFFAOYSA-N
XLogP3.84
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.59
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Tosylpiperidin-4-one
CID 560957
2,5-Dimethyl-1-(toluene-4-sulfonyl)-piperidin-4-one
CID 3109998
N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 963794
4,N-Dimethyl-N-(4-oxo-4-piperidin-1-yl-butyl)-benzenesulfonamide
CID 3129560
2-Ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 44825799
2-Ethyl-1-[(4-methylphenyl)sulfonyl]azetidin-3-one
CID 550954
1-(4-Methylbenzenesulfonyl)piperidin-3-one
CID 11010489
1-(4-Methylphenyl)sulfonylpiperidine-4-carbonyl fluoride
CID 177851599
5-(Tert-butyl)-4-methyl-1-tosyl-1,6-dihydropyridin-3(2H)-one
CID 71270310
Ethane;1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-one
CID 143985208
3-Methyl-1-tosylpiperidin-4-one
CID 3865867
2-Methyl-1-tosylpiperidin-4-one
CID 2873797

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one (CID 171359974) is 1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one is CC[Si](CC)(CC)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1=O.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one?
The InChIKey is BHBAPKCMWDZXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3SSi/c1-5-24(6-2,7-3)18-12-13-19(14-17(18)20)23(21,22)16-10-8-15(4)9-11-16/h8-11,18H,5-7,12-14H2,1-4H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one?
1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one has a molecular weight of 367.59 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-triethylsilylpiperidin-3-one is sourced from PubChem (CID 171359974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).