5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one

C12H19N3O3S — CID 63616386

IUPAC5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCCC1CN(S(=O)(=O)c2ccc(=O)[nH]c2)CCN1C
InChIInChI=1S/C12H19N3O3S/c1-3-10-9-15(7-6-14(10)2)19(17,18)11-4-5-12(16)13-8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,13,16)
InChIKeyZTMBLHHMRUAWKG-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.09
Rot. Bonds3

About 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one

5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 63616386) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID63616386
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCCC1CN(S(=O)(=O)c2ccc(=O)[nH]c2)CCN1C
InChIInChI=1S/C12H19N3O3S/c1-3-10-9-15(7-6-14(10)2)19(17,18)11-4-5-12(16)13-8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,13,16)
InChIKeyZTMBLHHMRUAWKG-UHFFFAOYSA-N
XLogP0.09
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 63611082
1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol
CID 63615234
2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 63621930
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 112627112
4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63603562
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 63174689
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 107877559
1-[3-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanone
CID 63620570
5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63162212
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyridin-2-one
CID 54877089
[5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 63621762
5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63174821

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one (CID 63616386) is 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one is CCC1CN(S(=O)(=O)c2ccc(=O)[nH]c2)CCN1C.
What is the InChIKey of 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is ZTMBLHHMRUAWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-10-9-15(7-6-14(10)2)19(17,18)11-4-5-12(16)13-8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,13,16).
What are the key properties of 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 285.37 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 63616386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).