4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine

C17H27N3O4S — CID 120763328

IUPAC4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C17H27N3O4S/c1-17(2)13-19(10-11-24-17)25(21,22)20-9-8-18-12-15(20)14-6-4-5-7-16(14)23-3/h4-7,15,18H,8-13H2,1-3H3
InChIKeyDXLBAQLUFBTIKW-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.00
Rot. Bonds4

About 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine

4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine (PubChem CID 120763328) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine
PubChem CID120763328
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C17H27N3O4S/c1-17(2)13-19(10-11-24-17)25(21,22)20-9-8-18-12-15(20)14-6-4-5-7-16(14)23-3/h4-7,15,18H,8-13H2,1-3H3
InChIKeyDXLBAQLUFBTIKW-UHFFFAOYSA-N
XLogP1.00
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride
CID 120765230
2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120763163
2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120876675
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359
2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
CID 120895077
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride
CID 120876689
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
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine
CID 120763133

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine?
The IUPAC name of 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine (CID 120763328) is 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine?
The canonical SMILES for 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine is COc1ccccc1C1CNCCN1S(=O)(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine?
The InChIKey is DXLBAQLUFBTIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-17(2)13-19(10-11-24-17)25(21,22)20-9-8-18-12-15(20)14-6-4-5-7-16(14)23-3/h4-7,15,18H,8-13H2,1-3H3.
What are the key properties of 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine?
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine has a molecular weight of 369.49 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine is sourced from PubChem (CID 120763328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).