(4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone

C16H24N2O3S — CID 110804694

IUPAC(4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C16H24N2O3S/c1-5-22(20,21)18-8-6-17(7-9-18)16(19)15-11-13(3)12(2)10-14(15)4/h10-11H,5-9H2,1-4H3
InChIKeyHPERBQXWVXYAER-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.72
Rot. Bonds3

About (4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone

(4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 110804694) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone
PubChem CID110804694
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C16H24N2O3S/c1-5-22(20,21)18-8-6-17(7-9-18)16(19)15-11-13(3)12(2)10-14(15)4/h10-11H,5-9H2,1-4H3
InChIKeyHPERBQXWVXYAER-UHFFFAOYSA-N
XLogP1.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone
CID 110804708
1-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805793
(4-ethylsulfonyl-1,4-diazepan-1-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 110810074
cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 110800460
(4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 110804678
2-methyl-1-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110806268
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20910824
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210
(2,5-dimethoxyphenyl)-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810052
(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809921
1-(4-ethylsulfonylpiperazin-1-yl)-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110804747

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone (CID 110804694) is (4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone is CCS(=O)(=O)N1CCN(C(=O)c2cc(C)c(C)cc2C)CC1.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is HPERBQXWVXYAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-5-22(20,21)18-8-6-17(7-9-18)16(19)15-11-13(3)12(2)10-14(15)4/h10-11H,5-9H2,1-4H3.
What are the key properties of (4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone?
(4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 324.45 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 110804694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).