1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride

C14H23ClN2O3S — CID 119982158

IUPAC1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESCOc1c(C)cc(S(=O)(=O)N2CCNC(C)C2)cc1C.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-10-7-13(8-11(2)14(10)19-4)20(17,18)16-6-5-15-12(3)9-16;/h7-8,12,15H,5-6,9H2,1-4H3;1H
InChIKeyLCWYMCIFXUUPLL-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.72
Rot. Bonds3

About 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride

1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride (PubChem CID 119982158) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
PubChem CID119982158
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESCOc1c(C)cc(S(=O)(=O)N2CCNC(C)C2)cc1C.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-10-7-13(8-11(2)14(10)19-4)20(17,18)16-6-5-15-12(3)9-16;/h7-8,12,15H,5-6,9H2,1-4H3;1H
InChIKeyLCWYMCIFXUUPLL-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982135
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
(3S)-1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 104976424
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
CID 119982062
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584719
1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 119981951
1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981991
3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide
CID 104975055
(3S)-1-(3-bromophenyl)sulfonyl-3-methylpiperazine
CID 104976426
1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981915
3-methyl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine;hydrochloride
CID 119982212

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride (CID 119982158) is 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride is COc1c(C)cc(S(=O)(=O)N2CCNC(C)C2)cc1C.Cl.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The InChIKey is LCWYMCIFXUUPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/c1-10-7-13(8-11(2)14(10)19-4)20(17,18)16-6-5-15-12(3)9-16;/h7-8,12,15H,5-6,9H2,1-4H3;1H.
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride?
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 119982158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).