2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride

C16H25ClN2O4S — CID 120876675

IUPAC2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)C1CCCOC1.Cl
InChIInChI=1S/C16H24N2O4S.ClH/c1-21-16-7-3-2-6-14(16)15-11-17-8-9-18(15)23(19,20)13-5-4-10-22-12-13;/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3;1H
InChIKeyJJDZGFHMEZHBGW-UHFFFAOYSA-N
MW376.91 g/mol
LogP1.57
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride

2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride (PubChem CID 120876675) has the molecular formula C16H25ClN2O4S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
PubChem CID120876675
Molecular FormulaC16H25ClN2O4S
Molecular Weight376.91 g/mol
Exact Mass376.12
IUPAC Name2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)C1CCCOC1.Cl
InChIInChI=1S/C16H24N2O4S.ClH/c1-21-16-7-3-2-6-14(16)15-11-17-8-9-18(15)23(19,20)13-5-4-10-22-12-13;/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3;1H
InChIKeyJJDZGFHMEZHBGW-UHFFFAOYSA-N
XLogP1.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride
CID 120876689
2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine
CID 120763133
2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120763163
1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine
CID 120763181
N,N-diethyl-2-(2-methoxyphenyl)piperazine-1-sulfonamide;hydrochloride
CID 120763279
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine
CID 120763328
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride
CID 120754001
1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763415

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride (CID 120876675) is 2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride is COc1ccccc1C1CNCCN1S(=O)(=O)C1CCCOC1.Cl.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride?
The InChIKey is JJDZGFHMEZHBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S.ClH/c1-21-16-7-3-2-6-14(16)15-11-17-8-9-18(15)23(19,20)13-5-4-10-22-12-13;/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3;1H.
What are the key properties of 2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride?
2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride has a molecular weight of 376.91 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 120876675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).