1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride

C12H19ClN2O3S — CID 119982135

IUPAC1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-10-9-14(8-7-13-10)18(15,16)12-5-3-11(17-2)4-6-12;/h3-6,10,13H,7-9H2,1-2H3;1H
InChIKeyAPESNZVGHKEOQD-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.10
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride

1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride (PubChem CID 119982135) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
PubChem CID119982135
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-10-9-14(8-7-13-10)18(15,16)12-5-3-11(17-2)4-6-12;/h3-6,10,13H,7-9H2,1-2H3;1H
InChIKeyAPESNZVGHKEOQD-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-diazepane
CID 82249735
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
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CID 119576431
4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride
CID 119981794
1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 119981951
4-(3-methylpiperazin-1-yl)sulfonylbenzonitrile
CID 65449200
4-[(3S)-3-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 67348810
1-(4-ethylphenyl)sulfonyl-3-methylpiperazine
CID 65449390
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982158
(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 59152114
(3R)-1-[3-(2-chloro-4-methoxyphenyl)phenyl]sulfonyl-3-methylpiperazine
CID 171914406
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride (CID 119982135) is 1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride is COc1ccc(S(=O)(=O)N2CCNC(C)C2)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The InChIKey is APESNZVGHKEOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S.ClH/c1-10-9-14(8-7-13-10)18(15,16)12-5-3-11(17-2)4-6-12;/h3-6,10,13H,7-9H2,1-2H3;1H.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride?
1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride has a molecular weight of 306.81 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 119982135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).