(2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine

C14H22N2O2S — CID 82756064

IUPAC(2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCNC[C@@H]2C)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-10-7-11(2)14(12(3)8-10)19(17,18)16-6-5-15-9-13(16)4/h7-8,13,15H,5-6,9H2,1-4H3/t13-/m0/s1
InChIKeyNXRAGURCFYEPJU-ZDUSSCGKSA-N
MW282.41 g/mol
LogP1.59
Rot. Bonds2

About (2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine

(2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine (PubChem CID 82756064) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine
PubChem CID82756064
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCNC[C@@H]2C)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-10-7-11(2)14(12(3)8-10)19(17,18)16-6-5-15-9-13(16)4/h7-8,13,15H,5-6,9H2,1-4H3/t13-/m0/s1
InChIKeyNXRAGURCFYEPJU-ZDUSSCGKSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2,5-dimethyl-3-methylsulfonylphenyl)sulfonyl-2-methylpiperazine
CID 120716863
1-(3-bromo-5-methylphenyl)sulfonyl-2-methylpiperazine
CID 120708117
(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120717146
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride
CID 120725684
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine
CID 62672958
1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine
CID 62673310
(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
CID 82756368
(2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride
CID 120716901
(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of (2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine (CID 82756064) is (2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for (2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for (2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine is Cc1cc(C)c(S(=O)(=O)N2CCNC[C@@H]2C)c(C)c1.
What is the InChIKey of (2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The InChIKey is NXRAGURCFYEPJU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-7-11(2)14(12(3)8-10)19(17,18)16-6-5-15-9-13(16)4/h7-8,13,15H,5-6,9H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine?
(2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 82756064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).