1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one

C15H20FNO4S — CID 136511968

IUPAC1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one
SMILESCC(CS(C)(=O)=O)C(=O)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C15H20FNO4S/c1-11(10-22(2,19)20)15(18)17-6-7-21-14(9-17)12-4-3-5-13(16)8-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3
InChIKeyQYVDIFDRWCAART-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.41
Rot. Bonds4

About 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one

1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one (PubChem CID 136511968) has the molecular formula C15H20FNO4S and a molecular weight of 329.39 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one
PubChem CID136511968
Molecular FormulaC15H20FNO4S
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one
SMILESCC(CS(C)(=O)=O)C(=O)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C15H20FNO4S/c1-11(10-22(2,19)20)15(18)17-6-7-21-14(9-17)12-4-3-5-13(16)8-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3
InChIKeyQYVDIFDRWCAART-UHFFFAOYSA-N
XLogP1.41
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
CID 136526058
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120988772
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 111432690
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668206
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120791793
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate
CID 174559637
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119770425
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119770397
7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119770399

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one?
The IUPAC name of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one (CID 136511968) is 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one is CC(CS(C)(=O)=O)C(=O)N1CCOC(c2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one?
The InChIKey is QYVDIFDRWCAART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4S/c1-11(10-22(2,19)20)15(18)17-6-7-21-14(9-17)12-4-3-5-13(16)8-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3.
What are the key properties of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one?
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one has a molecular weight of 329.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one is sourced from PubChem (CID 136511968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).