(2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride

C15H25ClN2O2S — CID 120717091

IUPAC(2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCNC[C@@H]2C)cc1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-12(2)10-14-4-6-15(7-5-14)20(18,19)17-9-8-16-11-13(17)3;/h4-7,12-13,16H,8-11H2,1-3H3;1H/t13-;/m0./s1
InChIKeyJKLOBJXPROTNDP-ZOWNYOTGSA-N
MW332.90 g/mol
LogP2.29
Rot. Bonds4

About (2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride

(2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride (PubChem CID 120717091) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is (2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
PubChem CID120717091
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name(2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCNC[C@@H]2C)cc1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-12(2)10-14-4-6-15(7-5-14)20(18,19)17-9-8-16-11-13(17)3;/h4-7,12-13,16H,8-11H2,1-3H3;1H/t13-;/m0./s1
InChIKeyJKLOBJXPROTNDP-ZOWNYOTGSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 64979716
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
(2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine
CID 82755992
N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119969796
2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine
CID 62672257
ethyl 4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120716936
ethyl 4-(2-methylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 119969997
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716815
N-methyl-4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzamide
CID 82755291

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride?
The IUPAC name of (2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride (CID 120717091) is (2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride.
What is the SMILES notation for (2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride?
The canonical SMILES for (2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride is CC(C)Cc1ccc(S(=O)(=O)N2CCNC[C@@H]2C)cc1.Cl.
What is the InChIKey of (2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride?
The InChIKey is JKLOBJXPROTNDP-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-12(2)10-14-4-6-15(7-5-14)20(18,19)17-9-8-16-11-13(17)3;/h4-7,12-13,16H,8-11H2,1-3H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride?
(2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120717091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).