5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one

C12H18N2O4S — CID 43629358

IUPAC5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCCC1COC(C)CN1S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N2O4S/c1-3-10-8-18-9(2)7-14(10)19(16,17)11-4-5-12(15)13-6-11/h4-6,9-10H,3,7-8H2,1-2H3,(H,13,15)
InChIKeyRSUYNIGNALPJKV-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.56
Rot. Bonds3

About 5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one

5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 43629358) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
PubChem CID43629358
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCCC1COC(C)CN1S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N2O4S/c1-3-10-8-18-9(2)7-14(10)19(16,17)11-4-5-12(15)13-6-11/h4-6,9-10H,3,7-8H2,1-2H3,(H,13,15)
InChIKeyRSUYNIGNALPJKV-UHFFFAOYSA-N
XLogP0.56
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one (CID 43629358) is 5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one is CCC1COC(C)CN1S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is RSUYNIGNALPJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-10-8-18-9(2)7-14(10)19(16,17)11-4-5-12(15)13-6-11/h4-6,9-10H,3,7-8H2,1-2H3,(H,13,15).
What are the key properties of 5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 286.35 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 43629358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).