5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one

C11H16N2O4S — CID 43629049

IUPAC5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1CN(S(=O)(=O)c2ccc(=O)[nH]c2)CC(C)O1
InChIInChI=1S/C11H16N2O4S/c1-8-6-13(7-9(2)17-8)18(15,16)10-3-4-11(14)12-5-10/h3-5,8-9H,6-7H2,1-2H3,(H,12,14)
InChIKeyAEYHESKXPHQNAM-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.17
Rot. Bonds2

About 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one

5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 43629049) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
PubChem CID43629049
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1CN(S(=O)(=O)c2ccc(=O)[nH]c2)CC(C)O1
InChIInChI=1S/C11H16N2O4S/c1-8-6-13(7-9(2)17-8)18(15,16)10-3-4-11(14)12-5-10/h3-5,8-9H,6-7H2,1-2H3,(H,12,14)
InChIKeyAEYHESKXPHQNAM-UHFFFAOYSA-N
XLogP0.17
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one (CID 43629049) is 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one is CC1CN(S(=O)(=O)c2ccc(=O)[nH]c2)CC(C)O1.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is AEYHESKXPHQNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8-6-13(7-9(2)17-8)18(15,16)10-3-4-11(14)12-5-10/h3-5,8-9H,6-7H2,1-2H3,(H,12,14).
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 272.33 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 43629049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).