2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride

C15H25ClN2O2S — CID 120725684

IUPAC2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride
SMILESCc1cc(C)c(S(=O)(=O)N2CCNC(C)C2C)c(C)c1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-10-8-11(2)15(12(3)9-10)20(18,19)17-7-6-16-13(4)14(17)5;/h8-9,13-14,16H,6-7H2,1-5H3;1H
InChIKeyIAUKAJUTPXZNNL-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.40
Rot. Bonds2

About 2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride

2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride (PubChem CID 120725684) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride
PubChem CID120725684
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride
SMILESCc1cc(C)c(S(=O)(=O)N2CCNC(C)C2C)c(C)c1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-10-8-11(2)15(12(3)9-10)20(18,19)17-7-6-16-13(4)14(17)5;/h8-9,13-14,16H,6-7H2,1-5H3;1H
InChIKeyIAUKAJUTPXZNNL-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethyl-4-nitrophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725892
1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725689
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120725705
1-(3-bromo-5-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725861
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine
CID 120725706
(2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 82756064
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride
CID 120725679
2,3-dimethyl-1-(2-methyl-6-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120725621
2,3-dimethyl-1-(2,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120725343
1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725401
1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726080
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
CID 120725851

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride (CID 120725684) is 2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride is Cc1cc(C)c(S(=O)(=O)N2CCNC(C)C2C)c(C)c1.Cl.
What is the InChIKey of 2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is IAUKAJUTPXZNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-10-8-11(2)15(12(3)9-10)20(18,19)17-7-6-16-13(4)14(17)5;/h8-9,13-14,16H,6-7H2,1-5H3;1H.
What are the key properties of 2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride?
2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120725684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).