1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one

C15H22N2O3S — CID 22688879

IUPAC1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O3S/c1-14(2)9-12(18)10-15(3,4)17(14)21(19,20)13-7-5-11(16)6-8-13/h5-8H,9-10,16H2,1-4H3
InChIKeySBQRRPMTWTUPCV-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.18
Rot. Bonds2

About 1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one

1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one (PubChem CID 22688879) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Name1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one
PubChem CID22688879
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O3S/c1-14(2)9-12(18)10-15(3,4)17(14)21(19,20)13-7-5-11(16)6-8-13/h5-8H,9-10,16H2,1-4H3
InChIKeySBQRRPMTWTUPCV-UHFFFAOYSA-N
XLogP2.18
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.18
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)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one?
The IUPAC name of 1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one (CID 22688879) is 1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one.
What is the SMILES notation for 1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one?
The canonical SMILES for 1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one is CC1(C)CC(=O)CC(C)(C)N1S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one?
The InChIKey is SBQRRPMTWTUPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-14(2)9-12(18)10-15(3,4)17(14)21(19,20)13-7-5-11(16)6-8-13/h5-8H,9-10,16H2,1-4H3.
What are the key properties of 1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one?
1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one has a molecular weight of 310.42 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 22688879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).