5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one

C13H19N3O4S — CID 60959349

IUPAC5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESCC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H19N3O4S/c1-10(2)13(18)15-5-7-16(8-6-15)21(19,20)11-3-4-12(17)14-9-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,17)
InChIKeyGYHPDLYRMZBDMX-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.14
Rot. Bonds3

About 5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one

5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one (PubChem CID 60959349) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
PubChem CID60959349
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESCC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H19N3O4S/c1-10(2)13(18)15-5-7-16(8-6-15)21(19,20)11-3-4-12(17)14-9-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,17)
InChIKeyGYHPDLYRMZBDMX-UHFFFAOYSA-N
XLogP-0.14
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318
5-[(4-propanoyl-1,4-diazepan-1-yl)sulfonyl]-1H-pyridin-2-one
CID 61042486
1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylbenzimidazol-2-one
CID 19259561
1-[4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110817512
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
2-methyl-1-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796956
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 17440483
1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one
CID 59279112
1-[4-(1,3-benzodioxol-5-ylsulfonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796917
1-[4-(2-chloro-5-methylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 56513769
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 51169740
5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 107405922

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one (CID 60959349) is 5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one is CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one?
The InChIKey is GYHPDLYRMZBDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-10(2)13(18)15-5-7-16(8-6-15)21(19,20)11-3-4-12(17)14-9-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,17).
What are the key properties of 5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one?
5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one has a molecular weight of 313.38 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 60959349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).