2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine

C15H24N2O2S — CID 82251742

IUPAC2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CC(C)(C)NCC2(C)C)cc1
InChIInChI=1S/C15H24N2O2S/c1-12-6-8-13(9-7-12)20(18,19)17-11-14(2,3)16-10-15(17,4)5/h6-9,16H,10-11H2,1-5H3
InChIKeyQGUAJUPVKBQEHV-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.15
Rot. Bonds2

About 2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine

2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine (PubChem CID 82251742) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine
PubChem CID82251742
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CC(C)(C)NCC2(C)C)cc1
InChIInChI=1S/C15H24N2O2S/c1-12-6-8-13(9-7-12)20(18,19)17-11-14(2,3)16-10-15(17,4)5/h6-9,16H,10-11H2,1-5H3
InChIKeyQGUAJUPVKBQEHV-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-dimethyl-7-(4-methylphenyl)sulfonyl-7-azabicyclo[4.2.0]octane
CID 90482026
1-[2-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]ethanone
CID 134896821
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 134927022
2,4,4-trimethyl-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine
CID 164678390
3,3-bis(bromomethyl)-1-(4-methylphenyl)sulfonylazetidine
CID 56776985
(4S)-4-hydroxy-5,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-one
CID 101404102
1,4,6,9-tetrakis-(4-methylphenyl)sulfonyl-1,4,6,9-tetraza-5-silaspiro[4.4]nonane
CID 100926262
2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane
CID 157437716
(2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 15418142
2-hex-1-ynyl-2-methyl-1-(4-methylphenyl)sulfonylaziridine
CID 164687163
1-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.1]heptan-6-one
CID 21310580

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine (CID 82251742) is 2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CC(C)(C)NCC2(C)C)cc1.
What is the InChIKey of 2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is QGUAJUPVKBQEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-6-8-13(9-7-12)20(18,19)17-11-14(2,3)16-10-15(17,4)5/h6-9,16H,10-11H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine?
2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 296.44 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 82251742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).