3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione

C15H17FN2O2S — CID 79126493

IUPAC3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione
SMILESNc1ccc(F)cc1SC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C15H17FN2O2S/c16-9-5-6-11(17)12(7-9)21-13-8-14(19)18(15(13)20)10-3-1-2-4-10/h5-7,10,13H,1-4,8,17H2
InChIKeyOGJSBNLSYXQZPL-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.57
Rot. Bonds3

About 3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione

3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione (PubChem CID 79126493) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione
PubChem CID79126493
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione
SMILESNc1ccc(F)cc1SC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C15H17FN2O2S/c16-9-5-6-11(17)12(7-9)21-13-8-14(19)18(15(13)20)10-3-1-2-4-10/h5-7,10,13H,1-4,8,17H2
InChIKeyOGJSBNLSYXQZPL-UHFFFAOYSA-N
XLogP2.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-Aminophenyl)thio]-1-ethyl-2,5-pyrrolidinedione
CID 2983197
2-(2-aminophenyl)sulfanyl-N,N-diethylacetamide
CID 712541
3-[(2-Aminophenyl)sulfanyl]-1-benzyl-2,5-pyrrolidinedione
CID 3146057
3-(2-Aminoethylsulfanyl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2756427
3-(2-Aminophenyl)sulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 305316
1-[2-(4-Aminophenyl)sulfanylethyl]pyrrolidin-2-one
CID 53788931
3-[(2-Aminoethyl)sulfanyl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 2950026
3-(2-Aminophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
CID 2731194
1-[(2H-1,4-Benzothiazin-3-yl)methyl]pyrrolidine-2,5-dione
CID 12858018
S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate
CID 139224186
2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylethylazanium
CID 1853783
(3R)-3-(2-aminoethylsulfanyl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 1853784

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione (CID 79126493) is 3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione is Nc1ccc(F)cc1SC1CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione?
The InChIKey is OGJSBNLSYXQZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c16-9-5-6-11(17)12(7-9)21-13-8-14(19)18(15(13)20)10-3-1-2-4-10/h5-7,10,13H,1-4,8,17H2.
What are the key properties of 3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione?
3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione has a molecular weight of 308.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione is sourced from PubChem (CID 79126493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).