4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine

C13H19NO4S — CID 2851611

IUPAC4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C13H19NO4S/c1-10-8-14(9-11(2)18-10)19(15,16)13-6-4-12(17-3)5-7-13/h4-7,10-11H,8-9H2,1-3H3
InChIKeySONKSHWXWHWISY-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.49
Rot. Bonds3

About 4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine

4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 2851611) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID2851611
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C13H19NO4S/c1-10-8-14(9-11(2)18-10)19(15,16)13-6-4-12(17-3)5-7-13/h4-7,10-11H,8-9H2,1-3H3
InChIKeySONKSHWXWHWISY-UHFFFAOYSA-N
XLogP1.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine
CID 26833180
4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369123
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 51437066
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
CID 704067
4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
(2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7366801
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
4-[4-(bromomethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 65482577
(4-methylphenyl) 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8764685

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine (CID 2851611) is 4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine is COc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is SONKSHWXWHWISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-8-14(9-11(2)18-10)19(15,16)13-6-4-12(17-3)5-7-13/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 285.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2851611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).