1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride

C12H19ClN2O2S — CID 119961871

IUPAC1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-10-3-4-11(2)12(9-10)17(15,16)14-7-5-13-6-8-14;/h3-4,9,13H,5-8H2,1-2H3;1H
InChIKeyIPHAYXQXVHYOET-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.32
Rot. Bonds2

About 1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride

1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride (PubChem CID 119961871) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
PubChem CID119961871
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-10-3-4-11(2)12(9-10)17(15,16)14-7-5-13-6-8-14;/h3-4,9,13H,5-8H2,1-2H3;1H
InChIKeyIPHAYXQXVHYOET-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-1,4,7-triazonane
CID 175127443
methyl 4-methyl-3-piperazin-1-ylsulfonylbenzoate;hydrochloride
CID 119961823
1-tert-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113074855
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
1-(2,5-dimethylphenyl)sulfonyl-4,4-difluoropiperidine
CID 139027359
4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-2-one
CID 62896508
3-(1,4-diazepan-1-ylsulfonyl)-4-methylbenzoic acid
CID 61405052
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81104027
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817309
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9496224

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride (CID 119961871) is 1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride is Cc1ccc(C)c(S(=O)(=O)N2CCNCC2)c1.Cl.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is IPHAYXQXVHYOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c1-10-3-4-11(2)12(9-10)17(15,16)14-7-5-13-6-8-14;/h3-4,9,13H,5-8H2,1-2H3;1H.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride?
1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 119961871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).