(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride

C12H19ClN2O4S2 — CID 120716978

IUPAC(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C12H18N2O4S2.ClH/c1-10-9-13-7-8-14(10)20(17,18)12-5-3-11(4-6-12)19(2,15)16;/h3-6,10,13H,7-9H2,1-2H3;1H/t10-;/m1./s1
InChIKeyKEECTIUMIGMXGO-HNCPQSOCSA-N
MW354.88 g/mol
LogP0.49
Rot. Bonds3

About (2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride

(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride (PubChem CID 120716978) has the molecular formula C12H19ClN2O4S2 and a molecular weight of 354.88 g/mol. Its IUPAC name is (2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
PubChem CID120716978
Molecular FormulaC12H19ClN2O4S2
Molecular Weight354.88 g/mol
Exact Mass354.05
IUPAC Name(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C12H18N2O4S2.ClH/c1-10-9-13-7-8-14(10)20(17,18)12-5-3-11(4-6-12)19(2,15)16;/h3-6,10,13H,7-9H2,1-2H3;1H/t10-;/m1./s1
InChIKeyKEECTIUMIGMXGO-HNCPQSOCSA-N
XLogP0.49
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969694
(2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine
CID 82755992
(2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120717091
N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119969796
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine
CID 119969695
N-methyl-4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzamide
CID 82755291
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716815
(2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716849
(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716985

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of (2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride (CID 120716978) is (2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for (2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for (2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride is C[C@@H]1CNCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of (2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is KEECTIUMIGMXGO-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H18N2O4S2.ClH/c1-10-9-13-7-8-14(10)20(17,18)12-5-3-11(4-6-12)19(2,15)16;/h3-6,10,13H,7-9H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride?
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120716978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).