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

C11H15ClN2O4S — CID 64607116

IUPAC3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1(C)CN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CCO1
InChIInChI=1S/C11H15ClN2O4S/c1-11(2)7-14(3-4-18-11)19(16,17)8-5-9(12)10(15)13-6-8/h5-6H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyYUAGCXYUOMEMEA-UHFFFAOYSA-N
MW306.77 g/mol
LogP0.83
Rot. Bonds2

About 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one

3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 64607116) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
PubChem CID64607116
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1(C)CN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CCO1
InChIInChI=1S/C11H15ClN2O4S/c1-11(2)7-14(3-4-18-11)19(16,17)8-5-9(12)10(15)13-6-8/h5-6H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyYUAGCXYUOMEMEA-UHFFFAOYSA-N
XLogP0.83
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one (CID 64607116) is 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one is CC1(C)CN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CCO1.
What is the InChIKey of 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is YUAGCXYUOMEMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-11(2)7-14(3-4-18-11)19(16,17)8-5-9(12)10(15)13-6-8/h5-6H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 306.77 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 64607116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).