(3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione

C12H12FNO2S — CID 92639985

IUPAC(3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESCCS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C12H12FNO2S/c1-2-17-10-7-11(15)14(12(10)16)9-5-3-8(13)4-6-9/h3-6,10H,2,7H2,1H3/t10-/m1/s1
InChIKeyQBSADOPKTIYYKE-SNVBAGLBSA-N
MW253.30 g/mol
LogP2.21
Rot. Bonds3

About (3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione

(3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 92639985) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is (3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID92639985
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name(3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESCCS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C12H12FNO2S/c1-2-17-10-7-11(15)14(12(10)16)9-5-3-8(13)4-6-9/h3-6,10H,2,7H2,1H3/t10-/m1/s1
InChIKeyQBSADOPKTIYYKE-SNVBAGLBSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-amino-3-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate
CID 700320
2-amino-3-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
CID 4528077
N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 1243844
(3R)-1-(4-bromophenyl)-3-butylsulfanylpyrrolidine-2,5-dione
CID 51389715
2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1299581
(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 774602
3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2950022
(3R)-1-(4-fluorophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 800303
ethyl 4-[(3R)-3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 6975639
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 3106521
3-[3-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpropylsulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 132966697
ethyl 2-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetate
CID 51568637

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CID 92639985) is (3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione is CCS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of (3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is QBSADOPKTIYYKE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12FNO2S/c1-2-17-10-7-11(15)14(12(10)16)9-5-3-8(13)4-6-9/h3-6,10H,2,7H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
(3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 253.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 92639985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).