1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine

C14H22N2O2S — CID 2431957

IUPAC1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCNCC2)c1C
InChIInChI=1S/C14H22N2O2S/c1-10-9-11(2)13(4)14(12(10)3)19(17,18)16-7-5-15-6-8-16/h9,15H,5-8H2,1-4H3
InChIKeyJMUKEMDGNYTFDQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.51
Rot. Bonds2

About 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine

1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine (PubChem CID 2431957) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
PubChem CID2431957
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCNCC2)c1C
InChIInChI=1S/C14H22N2O2S/c1-10-9-11(2)13(4)14(12(10)3)19(17,18)16-7-5-15-6-8-16/h9,15H,5-8H2,1-4H3
InChIKeyJMUKEMDGNYTFDQ-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperazine, 1-((2,5-dimethylphenyl)sulfonyl)-
CID 2384617
2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 700222
N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 2979217
1-[(2,4,6-Triisopropylphenyl)sulfonyl]piperazine
CID 1108305
1-(5,6,7,8-Tetrahydronaphthalene-2-sulfonyl)piperazine
CID 2546175
1-Methyl-4-[(2,3,5,6-tetramethylphenyl)sulfonyl]piperazine
CID 897460
N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 4791129
N,2,3,5,6-pentamethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 16245372
2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2178782
2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 2179620
1-Methyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepane
CID 2384257
4-[(2,3,5,6-Tetramethylphenyl)sulfonyl]thiomorpholine
CID 6462784

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine (CID 2431957) is 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine is Cc1cc(C)c(C)c(S(=O)(=O)N2CCNCC2)c1C.
What is the InChIKey of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
The InChIKey is JMUKEMDGNYTFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-9-11(2)13(4)14(12(10)3)19(17,18)16-7-5-15-6-8-16/h9,15H,5-8H2,1-4H3.
What are the key properties of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2431957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).