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

C13H20N2O4S — CID 102745086

IUPAC5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1(C)CN(S(=O)(=O)c2ccc(=O)[nH]c2)CC(C)(C)O1
InChIInChI=1S/C13H20N2O4S/c1-12(2)8-15(9-13(3,4)19-12)20(17,18)10-5-6-11(16)14-7-10/h5-7H,8-9H2,1-4H3,(H,14,16)
InChIKeyDTBUILSULGZATH-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.95
Rot. Bonds2

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

5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 102745086) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
PubChem CID102745086
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1(C)CN(S(=O)(=O)c2ccc(=O)[nH]c2)CC(C)(C)O1
InChIInChI=1S/C13H20N2O4S/c1-12(2)8-15(9-13(3,4)19-12)20(17,18)10-5-6-11(16)14-7-10/h5-7H,8-9H2,1-4H3,(H,14,16)
InChIKeyDTBUILSULGZATH-UHFFFAOYSA-N
XLogP0.95
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one (CID 102745086) is 5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one is CC1(C)CN(S(=O)(=O)c2ccc(=O)[nH]c2)CC(C)(C)O1.
What is the InChIKey of 5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is DTBUILSULGZATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-12(2)8-15(9-13(3,4)19-12)20(17,18)10-5-6-11(16)14-7-10/h5-7H,8-9H2,1-4H3,(H,14,16).
What are the key properties of 5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 300.38 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 102745086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).