1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride

C11H17ClN2O2S — CID 66582417

IUPAC1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccccc2)CCN1.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-10-9-13(8-7-12-10)16(14,15)11-5-3-2-4-6-11;/h2-6,10,12H,7-9H2,1H3;1H
InChIKeyLGFSVFSHJLUWGK-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.09
Rot. Bonds2

About 1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride

1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride (PubChem CID 66582417) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
PubChem CID66582417
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccccc2)CCN1.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-10-9-13(8-7-12-10)16(14,15)11-5-3-2-4-6-11;/h2-6,10,12H,7-9H2,1H3;1H
InChIKeyLGFSVFSHJLUWGK-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981991
1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982135
4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride
CID 119981794
(3S)-1-(3-bromophenyl)sulfonyl-3-methylpiperazine
CID 104976426
3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide
CID 104975055
4-[(3S)-3-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 67348810
4-(3-methylpiperazin-1-yl)sulfonylbenzonitrile
CID 65449200
1-(4-ethylphenyl)sulfonyl-3-methylpiperazine
CID 65449390
(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
CID 104975048
(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 59152114
1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981797
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982158

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride (CID 66582417) is 1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride is CC1CN(S(=O)(=O)c2ccccc2)CCN1.Cl.
What is the InChIKey of 1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride?
The InChIKey is LGFSVFSHJLUWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S.ClH/c1-10-9-13(8-7-12-10)16(14,15)11-5-3-2-4-6-11;/h2-6,10,12H,7-9H2,1H3;1H.
What are the key properties of 1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride?
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 66582417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).