methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone

C13H19NO4S — CID 144625239

IUPACmethane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
SMILESC.CS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C12H15NO4S.CH4/c1-18(15,16)11-4-2-3-10(9-11)12(14)13-5-7-17-8-6-13;/h2-4,9H,5-8H2,1H3;1H4
InChIKeyCWYSGOWTCGVQPY-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.20
Rot. Bonds2

About methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone

methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone (PubChem CID 144625239) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Namemethane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
PubChem CID144625239
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Namemethane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
SMILESC.CS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C12H15NO4S.CH4/c1-18(15,16)11-4-2-3-10(9-11)12(14)13-5-7-17-8-6-13;/h2-4,9H,5-8H2,1H3;1H4
InChIKeyCWYSGOWTCGVQPY-UHFFFAOYSA-N
XLogP1.20
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
1-(3-methylsulfonylbenzoyl)piperidin-4-one
CID 22397490
[3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone
CID 110677156
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
[3-[[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]sulfonyl]phenyl]-morpholin-4-ylmethanone
CID 72879903
4-(3-methylsulfonylbenzoyl)morpholine-2-carbonitrile
CID 78945893
[4-(2,2-dimethylpropyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 110313619
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689
N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677161
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
(3-aminoazetidin-1-yl)-(3-methylsulfonylphenyl)methanone
CID 63753281

Frequently Asked Questions

What is the IUPAC name of methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone (CID 144625239) is methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone is C.CS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone?
The InChIKey is CWYSGOWTCGVQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S.CH4/c1-18(15,16)11-4-2-3-10(9-11)12(14)13-5-7-17-8-6-13;/h2-4,9H,5-8H2,1H3;1H4.
What are the key properties of methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone?
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone has a molecular weight of 285.37 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 144625239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).