1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one

C20H23NO3S — CID 72924338

IUPAC1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one
SMILESCS(=O)(=O)CCN1CC(c2ccccc2)(c2ccccc2)CCC1=O
InChIInChI=1S/C20H23NO3S/c1-25(23,24)15-14-21-16-20(13-12-19(21)22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3
InChIKeyMPZTWSGRQMHHMS-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.64
Rot. Bonds5

About 1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one

1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one (PubChem CID 72924338) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one
PubChem CID72924338
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one
SMILESCS(=O)(=O)CCN1CC(c2ccccc2)(c2ccccc2)CCC1=O
InChIInChI=1S/C20H23NO3S/c1-25(23,24)15-14-21-16-20(13-12-19(21)22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3
InChIKeyMPZTWSGRQMHHMS-UHFFFAOYSA-N
XLogP2.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one?
The IUPAC name of 1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one (CID 72924338) is 1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one?
The canonical SMILES for 1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one is CS(=O)(=O)CCN1CC(c2ccccc2)(c2ccccc2)CCC1=O.
What is the InChIKey of 1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one?
The InChIKey is MPZTWSGRQMHHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-25(23,24)15-14-21-16-20(13-12-19(21)22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one?
1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one has a molecular weight of 357.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-5,5-diphenylpiperidin-2-one is sourced from PubChem (CID 72924338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).