3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione

C13H15FN2O2S — CID 43638600

IUPAC3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Sc2ccc(F)cc2N)C1=O
InChIInChI=1S/C13H15FN2O2S/c1-2-5-16-12(17)7-11(13(16)18)19-10-4-3-8(14)6-9(10)15/h3-4,6,11H,2,5,7,15H2,1H3
InChIKeyDGMRTUMTPMAFNA-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.04
Rot. Bonds4

About 3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione

3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione (PubChem CID 43638600) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione
PubChem CID43638600
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC Name3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Sc2ccc(F)cc2N)C1=O
InChIInChI=1S/C13H15FN2O2S/c1-2-5-16-12(17)7-11(13(16)18)19-10-4-3-8(14)6-9(10)15/h3-4,6,11H,2,5,7,15H2,1H3
InChIKeyDGMRTUMTPMAFNA-UHFFFAOYSA-N
XLogP2.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.04
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-(4-amino-2-bromophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione
CID 82840847
3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione
CID 61296236
3-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-1-methylpyrrolidine-2,5-dione
CID 43638485
3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione
CID 43638591
3-(2-aminophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione
CID 14956141
3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione
CID 43638572
methanethiol;3-methylsulfanyl-1-propylpyrrolidine-2,5-dione;1-propylpyrrole-2,5-dione
CID 158664345
3-(2-amino-5-methoxyphenyl)sulfanyl-1-methylpyrrolidine-2,5-dione
CID 79518822
1-octadecyl-3-(4-sulfanylphenyl)sulfanylpyrrolidine-2,5-dione
CID 71426691
(3S)-3-(2-aminophenyl)sulfanyl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 98541204
3-(2-aminophenyl)sulfanyl-1-[2-[3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione;2-[1-[2-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;2-[1-[4-[[4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid;3-(2-hydroxyethylsulfanyl)-1-[2-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 157240088
3-(4-amino-2-methylphenyl)sulfanyl-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43638585

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione (CID 43638600) is 3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(Sc2ccc(F)cc2N)C1=O.
What is the InChIKey of 3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione?
The InChIKey is DGMRTUMTPMAFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c1-2-5-16-12(17)7-11(13(16)18)19-10-4-3-8(14)6-9(10)15/h3-4,6,11H,2,5,7,15H2,1H3.
What are the key properties of 3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione?
3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione has a molecular weight of 282.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 43638600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).