1-(4-aminophenyl)sulfonylpiperidin-2-one

C11H14N2O3S — CID 90657104

IUPAC1-(4-aminophenyl)sulfonylpiperidin-2-one
SMILESNc1ccc(S(=O)(=O)N2CCCCC2=O)cc1
InChIInChI=1S/C11H14N2O3S/c12-9-4-6-10(7-5-9)17(15,16)13-8-2-1-3-11(13)14/h4-7H,1-3,8,12H2
InChIKeyOWUDZSOVUCVZKR-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.97
Rot. Bonds2

About 1-(4-aminophenyl)sulfonylpiperidin-2-one

1-(4-aminophenyl)sulfonylpiperidin-2-one (PubChem CID 90657104) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(4-aminophenyl)sulfonylpiperidin-2-one.

Molecular Properties

Compound Name1-(4-aminophenyl)sulfonylpiperidin-2-one
PubChem CID90657104
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-(4-aminophenyl)sulfonylpiperidin-2-one
SMILESNc1ccc(S(=O)(=O)N2CCCCC2=O)cc1
InChIInChI=1S/C11H14N2O3S/c12-9-4-6-10(7-5-9)17(15,16)13-8-2-1-3-11(13)14/h4-7H,1-3,8,12H2
InChIKeyOWUDZSOVUCVZKR-UHFFFAOYSA-N
XLogP0.97
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)sulfonylpiperidin-2-one?
The IUPAC name of 1-(4-aminophenyl)sulfonylpiperidin-2-one (CID 90657104) is 1-(4-aminophenyl)sulfonylpiperidin-2-one.
What is the SMILES notation for 1-(4-aminophenyl)sulfonylpiperidin-2-one?
The canonical SMILES for 1-(4-aminophenyl)sulfonylpiperidin-2-one is Nc1ccc(S(=O)(=O)N2CCCCC2=O)cc1.
What is the InChIKey of 1-(4-aminophenyl)sulfonylpiperidin-2-one?
The InChIKey is OWUDZSOVUCVZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c12-9-4-6-10(7-5-9)17(15,16)13-8-2-1-3-11(13)14/h4-7H,1-3,8,12H2.
What are the key properties of 1-(4-aminophenyl)sulfonylpiperidin-2-one?
1-(4-aminophenyl)sulfonylpiperidin-2-one has a molecular weight of 254.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)sulfonylpiperidin-2-one is sourced from PubChem (CID 90657104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).