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

C14H23ClN2O2S — CID 42917349

IUPAC1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCNCC2)c1C.Cl
InChIInChI=1S/C14H22N2O2S.ClH/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;1H
InChIKeyOOQOXTUZTAEYDB-UHFFFAOYSA-N
MW318.87 g/mol
LogP1.94
Rot. Bonds2

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

1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride (PubChem CID 42917349) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
PubChem CID42917349
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCNCC2)c1C.Cl
InChIInChI=1S/C14H22N2O2S.ClH/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;1H
InChIKeyOOQOXTUZTAEYDB-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 51.94
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
1-[(2,4,6-Triisopropylphenyl)sulfonyl]piperazine
CID 1108305
1-Methyl-4-[(2,3,5,6-tetramethylphenyl)sulfonyl]piperazine
CID 897460
1-(2,3,5,6-Tetramethylbenzenesulfonyl)piperazine
CID 2431957
N,2,3,5,6-pentamethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 16245372
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
4-(2,3,5,6-Tetramethylphenyl)sulfonylpiperazin-2-one
CID 4882689
1-(Pentamethylbenzenesulfonyl)piperazine hydrochloride
CID 16196345
1-(2,3,4,5-Tetramethylphenyl)sulfonylpiperidine
CID 2990879

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride (CID 42917349) is 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride is Cc1cc(C)c(C)c(S(=O)(=O)N2CCNCC2)c1C.Cl.
What is the InChIKey of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is OOQOXTUZTAEYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/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;1H.
What are the key properties of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride?
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 1.94, 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;hydrochloride is sourced from PubChem (CID 42917349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).