(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride

C13H21ClN2O2S — CID 120716906

IUPAC(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCNC[C@H]2C)cc1C.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-10-4-5-13(8-11(10)2)18(16,17)15-7-6-14-9-12(15)3;/h4-5,8,12,14H,6-7,9H2,1-3H3;1H/t12-;/m1./s1
InChIKeyKFDHLMXLQQCDOD-UTONKHPSSA-N
MW304.84 g/mol
LogP1.71
Rot. Bonds2

About (2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride

(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride (PubChem CID 120716906) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is (2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
PubChem CID120716906
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCNC[C@H]2C)cc1C.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-10-4-5-13(8-11(10)2)18(16,17)15-7-6-14-9-12(15)3;/h4-5,8,12,14H,6-7,9H2,1-3H3;1H/t12-;/m1./s1
InChIKeyKFDHLMXLQQCDOD-UTONKHPSSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;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)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716815
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
methyl 2-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzoate
CID 119970177
(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716985
1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride
CID 119969942
2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride
CID 119970068
1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120708137
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969694
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 120716934

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The IUPAC name of (2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride (CID 120716906) is (2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride is Cc1ccc(S(=O)(=O)N2CCNC[C@H]2C)cc1C.Cl.
What is the InChIKey of (2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The InChIKey is KFDHLMXLQQCDOD-UTONKHPSSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-10-4-5-13(8-11(10)2)18(16,17)15-7-6-14-9-12(15)3;/h4-5,8,12,14H,6-7,9H2,1-3H3;1H/t12-;/m1./s1.
What are the key properties of (2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120716906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).