1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone

C14H26N2O5S — CID 21445276

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone
SMILESCC1CN(C(=O)CS(=O)(=O)N2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C14H26N2O5S/c1-10-5-15(6-11(2)20-10)14(17)9-22(18,19)16-7-12(3)21-13(4)8-16/h10-13H,5-9H2,1-4H3
InChIKeyIWPLPJHQXGYEIF-UHFFFAOYSA-N
MW334.44 g/mol
LogP0.06
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone

1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone (PubChem CID 21445276) has the molecular formula C14H26N2O5S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone
PubChem CID21445276
Molecular FormulaC14H26N2O5S
Molecular Weight334.44 g/mol
Exact Mass334.16
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone
SMILESCC1CN(C(=O)CS(=O)(=O)N2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C14H26N2O5S/c1-10-5-15(6-11(2)20-10)14(17)9-22(18,19)16-7-12(3)21-13(4)8-16/h10-13H,5-9H2,1-4H3
InChIKeyIWPLPJHQXGYEIF-UHFFFAOYSA-N
XLogP0.06
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methylmorpholin-4-yl)-2-methylsulfonylpropan-1-one
CID 45822096
1-(4-Ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone
CID 46199859
N-[2-[ethyl(methyl)amino]ethyl]-N-(2-morpholin-4-ylsulfonylethyl)acetamide
CID 89778318
3-Morpholin-4-ylsulfonylmorpholine-4-carbaldehyde
CID 91246691
N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide
CID 91476511
2-Methyl-1-morpholin-4-ylpropan-1-one;4-propan-2-ylsulfonylmorpholine
CID 160452197
(2,6-Dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
CID 6471958
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-propylsulfonylpiperidin-4-yl)methanone
CID 8068166
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-propylsulfonylpiperidin-4-yl)methanone
CID 8068167
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-propylsulfonylpiperidin-4-yl)methanone
CID 8068168
1-(4-Hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one
CID 43416039
1-[4-(2,6-Dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]ethanone
CID 45804187

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone (CID 21445276) is 1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone is CC1CN(C(=O)CS(=O)(=O)N2CC(C)OC(C)C2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone?
The InChIKey is IWPLPJHQXGYEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5S/c1-10-5-15(6-11(2)20-10)14(17)9-22(18,19)16-7-12(3)21-13(4)8-16/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone has a molecular weight of 334.44 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanone is sourced from PubChem (CID 21445276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).