[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone

C15H18FNO4S — CID 94005516

IUPAC[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FNO4S/c16-13-3-1-11(2-4-13)14-9-17(6-7-21-14)15(18)12-5-8-22(19,20)10-12/h1-4,12,14H,5-10H2/t12-,14+/m0/s1
InChIKeyNXOKVOSKKMJBGW-GXTWGEPZSA-N
MW327.38 g/mol
LogP1.16
Rot. Bonds2

About [(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone

[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 94005516) has the molecular formula C15H18FNO4S and a molecular weight of 327.38 g/mol. Its IUPAC name is [(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID94005516
Molecular FormulaC15H18FNO4S
Molecular Weight327.38 g/mol
Exact Mass327.09
IUPAC Name[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FNO4S/c16-13-3-1-11(2-4-13)14-9-17(6-7-21-14)15(18)12-5-8-22(19,20)10-12/h1-4,12,14H,5-10H2/t12-,14+/m0/s1
InChIKeyNXOKVOSKKMJBGW-GXTWGEPZSA-N
XLogP1.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
(4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 95569973
[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 60963365
(5S)-5-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-2-one
CID 94159203
1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 94037830
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120615823
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 60949473
[(3S)-1-[(3R)-1,1-dioxothiolane-3-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 100619159
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119112320
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 94098725

Frequently Asked Questions

What is the IUPAC name of [(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of [(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 94005516) is [(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone is O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of [(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is NXOKVOSKKMJBGW-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H18FNO4S/c16-13-3-1-11(2-4-13)14-9-17(6-7-21-14)15(18)12-5-8-22(19,20)10-12/h1-4,12,14H,5-10H2/t12-,14+/m0/s1.
What are the key properties of [(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone?
[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 327.38 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 94005516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).