5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one

C11H17N3O3S — CID 110735990

IUPAC5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one
SMILESCCS(=O)(=O)N1CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C11H17N3O3S/c1-2-18(16,17)14-7-5-13(6-8-14)10-3-4-11(15)12-9-10/h3-4,9H,2,5-8H2,1H3,(H,12,15)
InChIKeyXFSBOUCHSUQAAJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.15
Rot. Bonds3

About 5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one

5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one (PubChem CID 110735990) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one
PubChem CID110735990
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one
SMILESCCS(=O)(=O)N1CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C11H17N3O3S/c1-2-18(16,17)14-7-5-13(6-8-14)10-3-4-11(15)12-9-10/h3-4,9H,2,5-8H2,1H3,(H,12,15)
InChIKeyXFSBOUCHSUQAAJ-UHFFFAOYSA-N
XLogP-0.15
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-Methyl-1-piperazinyl)sulfonyl]-2-pyridinol
CID 829832
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
CID 43629454
N-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]methanesulfonamide
CID 90224987
2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide
CID 135186820
3-(3-amino-2-oxo-1-pyridinyl)-N,N-dimethylpropane-1-sulfonamide
CID 138585429
N-(2-oxo-1H-pyridin-3-yl)cyclohexanesulfonamide
CID 173251095
4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)piperazine-1-sulfonamide
CID 176690570
5-Amino-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]pyridin-2-one
CID 43581173
5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 43629026
N-(2-(Dimethylamino)ethyl)-6-oxo-1,6-dihydropyridine-3-sulfonamide
CID 43629045
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629075
N-[2-(diethylamino)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629185

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one (CID 110735990) is 5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one is CCS(=O)(=O)N1CCN(c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one?
The InChIKey is XFSBOUCHSUQAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-18(16,17)14-7-5-13(6-8-14)10-3-4-11(15)12-9-10/h3-4,9H,2,5-8H2,1H3,(H,12,15).
What are the key properties of 5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one?
5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one has a molecular weight of 271.34 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfonylpiperazin-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 110735990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).