4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one

C13H18N2O4S — CID 64693296

IUPAC4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one
SMILESCC(O)c1cccc(S(=O)(=O)N2CCN(C)C(=O)C2)c1
InChIInChI=1S/C13H18N2O4S/c1-10(16)11-4-3-5-12(8-11)20(18,19)15-7-6-14(2)13(17)9-15/h3-5,8,10,16H,6-7,9H2,1-2H3
InChIKeyZDCYNYPIGJCLDI-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.20
Rot. Bonds3

About 4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one

4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one (PubChem CID 64693296) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one
PubChem CID64693296
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one
SMILESCC(O)c1cccc(S(=O)(=O)N2CCN(C)C(=O)C2)c1
InChIInChI=1S/C13H18N2O4S/c1-10(16)11-4-3-5-12(8-11)20(18,19)15-7-6-14(2)13(17)9-15/h3-5,8,10,16H,6-7,9H2,1-2H3
InChIKeyZDCYNYPIGJCLDI-UHFFFAOYSA-N
XLogP0.20
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 106672758
1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol
CID 64576058
1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol
CID 104959833
4-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 64682605
4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708129
4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708141
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
CID 54882754
4-[3-(1-hydroxyethyl)phenyl]sulfonyl-3,3-dimethylpiperazin-2-one
CID 63607121
4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one
CID 43106971
2-methyl-4-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzonitrile
CID 106833379
2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 146024506
4-(3-amino-4-nitrophenyl)sulfonyl-1-methylpiperazin-2-one
CID 82847429

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one?
The IUPAC name of 4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one (CID 64693296) is 4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one?
The canonical SMILES for 4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one is CC(O)c1cccc(S(=O)(=O)N2CCN(C)C(=O)C2)c1.
What is the InChIKey of 4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one?
The InChIKey is ZDCYNYPIGJCLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10(16)11-4-3-5-12(8-11)20(18,19)15-7-6-14(2)13(17)9-15/h3-5,8,10,16H,6-7,9H2,1-2H3.
What are the key properties of 4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one?
4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one has a molecular weight of 298.36 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one is sourced from PubChem (CID 64693296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).