6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one

C14H19NO4S — CID 11087793

IUPAC6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one
SMILESCCOC1CCCC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO4S/c1-3-19-14-6-4-5-13(16)15(14)20(17,18)12-9-7-11(2)8-10-12/h7-10,14H,3-6H2,1-2H3
InChIKeyFIAYNEQWTRFJAL-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.06
Rot. Bonds4

About 6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one

6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one (PubChem CID 11087793) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one.

Molecular Properties

Compound Name6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one
PubChem CID11087793
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one
SMILESCCOC1CCCC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO4S/c1-3-19-14-6-4-5-13(16)15(14)20(17,18)12-9-7-11(2)8-10-12/h7-10,14H,3-6H2,1-2H3
InChIKeyFIAYNEQWTRFJAL-UHFFFAOYSA-N
XLogP2.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one?
The IUPAC name of 6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one (CID 11087793) is 6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one.
What is the SMILES notation for 6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one?
The canonical SMILES for 6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one is CCOC1CCCC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one?
The InChIKey is FIAYNEQWTRFJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-19-14-6-4-5-13(16)15(14)20(17,18)12-9-7-11(2)8-10-12/h7-10,14H,3-6H2,1-2H3.
What are the key properties of 6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one?
6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one has a molecular weight of 297.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-(4-methylphenyl)sulfonylpiperidin-2-one is sourced from PubChem (CID 11087793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).