1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone

C15H21NO4S — CID 2767201

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone
SMILESCc1ccc(S(=O)(=O)CC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C15H21NO4S/c1-11-4-6-14(7-5-11)21(18,19)10-15(17)16-8-12(2)20-13(3)9-16/h4-7,12-13H,8-10H2,1-3H3
InChIKeyMIUDPMAYZUGPJF-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.40
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone

1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone (PubChem CID 2767201) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone
PubChem CID2767201
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone
SMILESCc1ccc(S(=O)(=O)CC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C15H21NO4S/c1-11-4-6-14(7-5-11)21(18,19)10-15(17)16-8-12(2)20-13(3)9-16/h4-7,12-13H,8-10H2,1-3H3
InChIKeyMIUDPMAYZUGPJF-UHFFFAOYSA-N
XLogP1.40
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 588543
2-(Benzylsulfonyl)-1-(morpholin-4-yl)ethanone
CID 284483
2,6-Dimethyl-4-(2-{2-[(4-methylphenyl)thio]ethoxy}ethyl)morpholine hydrochloride
CID 2992992
(E)-3-(4-((difluoromethyl)thio)phenyl)-1-(2,6-dimethylmorpholino)prop-2-en-1-one
CID 5913001
1-Morpholino-2-(p-tolylthio)ethanone
CID 875760
4-[3-(4-Methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine
CID 2910405
3-(4-Morpholinyl)-3-oxopropyl phenyl sulfone
CID 772989
[1-(Benzenesulfonyl)cyclopent-3-en-1-yl]-morpholin-4-ylmethanone
CID 24819500
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 25161527
2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 2219795
1-Morpholino-2-tosylethanone
CID 285619
2-(Benzylsulfonyl)-1-(2,6-dimethylmorpholino)-1-ethanone
CID 2767202

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone (CID 2767201) is 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone is Cc1ccc(S(=O)(=O)CC(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone?
The InChIKey is MIUDPMAYZUGPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-11-4-6-14(7-5-11)21(18,19)10-15(17)16-8-12(2)20-13(3)9-16/h4-7,12-13H,8-10H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone has a molecular weight of 311.40 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylphenyl)sulfonylethanone is sourced from PubChem (CID 2767201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).