2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride

C12H19ClN2O2S — CID 119969701

IUPAC2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCNCC2C)cc1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-10-3-5-12(6-4-10)17(15,16)14-8-7-13-9-11(14)2;/h3-6,11,13H,7-9H2,1-2H3;1H
InChIKeyQOSYLLTZIYDMRA-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.40
Rot. Bonds2

About 2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride

2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride (PubChem CID 119969701) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
PubChem CID119969701
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCNCC2C)cc1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-10-3-5-12(6-4-10)17(15,16)14-8-7-13-9-11(14)2;/h3-6,11,13H,7-9H2,1-2H3;1H
InChIKeyQOSYLLTZIYDMRA-UHFFFAOYSA-N
XLogP1.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
(2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine
CID 82755992
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716815
(2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120717091
N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119969796
2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride
CID 119970068
ethyl 4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120716936
ethyl 4-(2-methylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 119969997
1-(3-bromo-5-methylphenyl)sulfonyl-2-methylpiperazine
CID 120708117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride (CID 119969701) is 2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride is Cc1ccc(S(=O)(=O)N2CCNCC2C)cc1.Cl.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is QOSYLLTZIYDMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c1-10-3-5-12(6-4-10)17(15,16)14-8-7-13-9-11(14)2;/h3-6,11,13H,7-9H2,1-2H3;1H.
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride?
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 119969701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).