1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one

C14H19NO3S — CID 71078929

IUPAC1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCC(=O)C2)cc1
InChIInChI=1S/C14H19NO3S/c1-11(2)12-5-7-14(8-6-12)19(17,18)15-9-3-4-13(16)10-15/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyHJLVPTZPOQDFLZ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.16
Rot. Bonds3

About 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one

1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one (PubChem CID 71078929) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one
PubChem CID71078929
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCC(=O)C2)cc1
InChIInChI=1S/C14H19NO3S/c1-11(2)12-5-7-14(8-6-12)19(17,18)15-9-3-4-13(16)10-15/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyHJLVPTZPOQDFLZ-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one?
The IUPAC name of 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one (CID 71078929) is 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one?
The canonical SMILES for 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one is CC(C)c1ccc(S(=O)(=O)N2CCCC(=O)C2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one?
The InChIKey is HJLVPTZPOQDFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-11(2)12-5-7-14(8-6-12)19(17,18)15-9-3-4-13(16)10-15/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one?
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one has a molecular weight of 281.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-one is sourced from PubChem (CID 71078929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).