4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one

C14H20N2O3S — CID 4882689

IUPAC4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCNC(=O)C2)c1C
InChIInChI=1S/C14H20N2O3S/c1-9-7-10(2)12(4)14(11(9)3)20(18,19)16-6-5-15-13(17)8-16/h7H,5-6,8H2,1-4H3,(H,15,17)
InChIKeyGBXTZHBKSHIHGH-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.04
Rot. Bonds2

About 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one

4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one (PubChem CID 4882689) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one
PubChem CID4882689
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCNC(=O)C2)c1C
InChIInChI=1S/C14H20N2O3S/c1-9-7-10(2)12(4)14(11(9)3)20(18,19)16-6-5-15-13(17)8-16/h7H,5-6,8H2,1-4H3,(H,15,17)
InChIKeyGBXTZHBKSHIHGH-UHFFFAOYSA-N
XLogP1.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-((2,4-Dimethylphenyl)sulfonyl)piperazin-2-one
CID 8321458
4-(4-Tert-butylphenylsulfonyl)piperazin-2-one
CID 2465157
1-Methyl-4-[(2,3,5,6-tetramethylphenyl)sulfonyl]piperazine
CID 897460
2-[(mesitylsulfonyl)(methyl)amino]-N-propylacetamide
CID 1750354
1-(2,3,5,6-Tetramethylbenzenesulfonyl)piperazine
CID 2431957
N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 4791129
4-(5-Tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one
CID 4881842
Cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2635741
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 24686963
2,3,5,6-tetramethyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 852267
N-cyclopropyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24238893
1-(2,3,5,6-Tetramethylbenzenesulfonyl)piperazine hydrochloride
CID 42917349

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one (CID 4882689) is 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one is Cc1cc(C)c(C)c(S(=O)(=O)N2CCNC(=O)C2)c1C.
What is the InChIKey of 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one?
The InChIKey is GBXTZHBKSHIHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-7-10(2)12(4)14(11(9)3)20(18,19)16-6-5-15-13(17)8-16/h7H,5-6,8H2,1-4H3,(H,15,17).
What are the key properties of 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one?
4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one has a molecular weight of 296.39 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 4882689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).