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

C14H19NO3S — CID 44825799

IUPAC2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
SMILESCCC1CC(=O)CCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO3S/c1-3-12-10-13(16)8-9-15(12)19(17,18)14-6-4-11(2)5-7-14/h4-7,12H,3,8-10H2,1-2H3
InChIKeyZNCJJTNMCXNSCC-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.13
Rot. Bonds3

About 2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one

2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one (PubChem CID 44825799) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
PubChem CID44825799
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
SMILESCCC1CC(=O)CCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO3S/c1-3-12-10-13(16)8-9-15(12)19(17,18)14-6-4-11(2)5-7-14/h4-7,12H,3,8-10H2,1-2H3
InChIKeyZNCJJTNMCXNSCC-UHFFFAOYSA-N
XLogP2.13
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one?
The IUPAC name of 2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one (CID 44825799) is 2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one.
What is the SMILES notation for 2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one?
The canonical SMILES for 2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one is CCC1CC(=O)CCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one?
The InChIKey is ZNCJJTNMCXNSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-3-12-10-13(16)8-9-15(12)19(17,18)14-6-4-11(2)5-7-14/h4-7,12H,3,8-10H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one?
2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one has a molecular weight of 281.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one is sourced from PubChem (CID 44825799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).