(3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione

C14H15FN2O2S — CID 692158

IUPAC(3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCSCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2S/c15-10-1-3-11(4-2-10)17-13(18)9-12(14(17)19)16-5-7-20-8-6-16/h1-4,12H,5-9H2/t12-/m1/s1
InChIKeyLLMKTDQDFYIJMW-GFCCVEGCSA-N
MW294.35 g/mol
LogP1.51
Rot. Bonds2

About (3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione

(3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione (PubChem CID 692158) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
PubChem CID692158
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name(3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCSCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2S/c15-10-1-3-11(4-2-10)17-13(18)9-12(14(17)19)16-5-7-20-8-6-16/h1-4,12H,5-9H2/t12-/m1/s1
InChIKeyLLMKTDQDFYIJMW-GFCCVEGCSA-N
XLogP1.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 3881670
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 17020092
(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 41002477
(3S)-1-(4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358155
1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 683089
(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 7357540
(3R)-1-(4-fluorophenyl)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 98307802
(3R)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 1282119
(3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 1282118
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
(3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7332701

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione (CID 692158) is (3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione is O=C1C[C@@H](N2CCSCC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione?
The InChIKey is LLMKTDQDFYIJMW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-10-1-3-11(4-2-10)17-13(18)9-12(14(17)19)16-5-7-20-8-6-16/h1-4,12H,5-9H2/t12-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione?
(3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione has a molecular weight of 294.35 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 692158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).