1-(4-methylphenyl)sulfonylpiperidin-4-one

C12H15NO3S — CID 560957

IUPAC1-(4-methylphenyl)sulfonylpiperidin-4-one
SMILESCc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C12H15NO3S/c1-10-2-4-12(5-3-10)17(15,16)13-8-6-11(14)7-9-13/h2-5H,6-9H2,1H3
InChIKeyPCEBUFJFSAZGNQ-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.35
Rot. Bonds2

About 1-(4-methylphenyl)sulfonylpiperidin-4-one

1-(4-methylphenyl)sulfonylpiperidin-4-one (PubChem CID 560957) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylpiperidin-4-one
PubChem CID560957
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name1-(4-methylphenyl)sulfonylpiperidin-4-one
SMILESCc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C12H15NO3S/c1-10-2-4-12(5-3-10)17(15,16)13-8-6-11(14)7-9-13/h2-5H,6-9H2,1H3
InChIKeyPCEBUFJFSAZGNQ-UHFFFAOYSA-N
XLogP1.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylpiperidin-4-one?
The IUPAC name of 1-(4-methylphenyl)sulfonylpiperidin-4-one (CID 560957) is 1-(4-methylphenyl)sulfonylpiperidin-4-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylpiperidin-4-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonylpiperidin-4-one is Cc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylpiperidin-4-one?
The InChIKey is PCEBUFJFSAZGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-10-2-4-12(5-3-10)17(15,16)13-8-6-11(14)7-9-13/h2-5H,6-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylpiperidin-4-one?
1-(4-methylphenyl)sulfonylpiperidin-4-one has a molecular weight of 253.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylpiperidin-4-one is sourced from PubChem (CID 560957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).