1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone

C14H19NO4S — CID 3832983

IUPAC1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C14H19NO4S/c1-10-8-15(9-11(2)19-10)20(17,18)14-6-4-13(5-7-14)12(3)16/h4-7,10-11H,8-9H2,1-3H3
InChIKeyJRBPYAUCNOVSRK-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.69
Rot. Bonds3

About 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone

1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone (PubChem CID 3832983) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone
PubChem CID3832983
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C14H19NO4S/c1-10-8-15(9-11(2)19-10)20(17,18)14-6-4-13(5-7-14)12(3)16/h4-7,10-11H,8-9H2,1-3H3
InChIKeyJRBPYAUCNOVSRK-UHFFFAOYSA-N
XLogP1.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone (CID 3832983) is 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone?
The InChIKey is JRBPYAUCNOVSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10-8-15(9-11(2)19-10)20(17,18)14-6-4-13(5-7-14)12(3)16/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone?
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone has a molecular weight of 297.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone is sourced from PubChem (CID 3832983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).