(3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one

C20H24N2O3S — CID 93290919

IUPAC(3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCC(C)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-15(2)17-9-11-18(12-10-17)21-13-14-22(16(3)20(21)23)26(24,25)19-7-5-4-6-8-19/h4-12,15-16H,13-14H2,1-3H3/t16-/m0/s1
InChIKeyVOAFLPIUWZPPTM-INIZCTEOSA-N
MW372.49 g/mol
LogP3.24
Rot. Bonds4

About (3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one

(3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one (PubChem CID 93290919) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
PubChem CID93290919
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCC(C)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-15(2)17-9-11-18(12-10-17)21-13-14-22(16(3)20(21)23)26(24,25)19-7-5-4-6-8-19/h4-12,15-16H,13-14H2,1-3H3/t16-/m0/s1
InChIKeyVOAFLPIUWZPPTM-INIZCTEOSA-N
XLogP3.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one
CID 46036630
4-(benzenesulfonyl)-1-(3-fluoro-4-methylphenyl)-3-methylpiperazin-2-one
CID 46036662
(3S)-4-(benzenesulfonyl)-1-(3-bromophenyl)-3-methylpiperazin-2-one
CID 93322852
4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 42847475
4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 46036625
(3S)-1-(3-chloro-4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-3-methylpiperazin-2-one
CID 93114817
1-(3-chloro-4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-3-methylpiperazin-2-one
CID 42847502
3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 24715958
4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 42847493
1-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonyl-3-methylpiperazin-2-one
CID 46036694
(3S)-1-(3-fluorophenyl)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 93323615
1-(2-fluorophenyl)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 42682818

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one?
The IUPAC name of (3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one (CID 93290919) is (3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one.
What is the SMILES notation for (3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one?
The canonical SMILES for (3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one is CC(C)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2=O)cc1.
What is the InChIKey of (3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one?
The InChIKey is VOAFLPIUWZPPTM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15(2)17-9-11-18(12-10-17)21-13-14-22(16(3)20(21)23)26(24,25)19-7-5-4-6-8-19/h4-12,15-16H,13-14H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one?
(3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one has a molecular weight of 372.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one is sourced from PubChem (CID 93290919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).