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

C15H25ClN2O2S — CID 119982062

IUPAC3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCNC(C)C2)c1C.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-10-8-11(2)14(5)15(13(10)4)20(18,19)17-7-6-16-12(3)9-17;/h8,12,16H,6-7,9H2,1-5H3;1H
InChIKeyVYFJAKILMAYFBP-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.32
Rot. Bonds2

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

3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride (PubChem CID 119982062) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
PubChem CID119982062
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCNC(C)C2)c1C.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-10-8-11(2)14(5)15(13(10)4)20(18,19)17-7-6-16-12(3)9-17;/h8,12,16H,6-7,9H2,1-5H3;1H
InChIKeyVYFJAKILMAYFBP-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981797
1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981915
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982158
(3R)-1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-3-methylpiperazine
CID 104975169
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984054
1-(4-bromo-2-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120710377
1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448622
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
(3S)-1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 104976424
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine
CID 103100544
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine
CID 104975146

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride (CID 119982062) is 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride is Cc1cc(C)c(C)c(S(=O)(=O)N2CCNC(C)C2)c1C.Cl.
What is the InChIKey of 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is VYFJAKILMAYFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-10-8-11(2)14(5)15(13(10)4)20(18,19)17-7-6-16-12(3)9-17;/h8,12,16H,6-7,9H2,1-5H3;1H.
What are the key properties of 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride?
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 119982062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).