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

C11H11FN2O2S — CID 43638591

IUPAC3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Sc2ccc(N)cc2F)C1=O
InChIInChI=1S/C11H11FN2O2S/c1-14-10(15)5-9(11(14)16)17-8-3-2-6(13)4-7(8)12/h2-4,9H,5,13H2,1H3
InChIKeyJPXWDWXQQNICEZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.26
Rot. Bonds2

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

3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione (PubChem CID 43638591) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione
PubChem CID43638591
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Name3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Sc2ccc(N)cc2F)C1=O
InChIInChI=1S/C11H11FN2O2S/c1-14-10(15)5-9(11(14)16)17-8-3-2-6(13)4-7(8)12/h2-4,9H,5,13H2,1H3
InChIKeyJPXWDWXQQNICEZ-UHFFFAOYSA-N
XLogP1.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.26
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione (CID 43638591) is 3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(Sc2ccc(N)cc2F)C1=O.
What is the InChIKey of 3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione?
The InChIKey is JPXWDWXQQNICEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-14-10(15)5-9(11(14)16)17-8-3-2-6(13)4-7(8)12/h2-4,9H,5,13H2,1H3.
What are the key properties of 3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione?
3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione has a molecular weight of 254.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-fluorophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 43638591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).