3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione

C11H10FNO2S — CID 91648396

IUPAC3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione
SMILESO=C1CCC(Sc2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C11H10FNO2S/c12-7-1-3-8(4-2-7)16-9-5-6-10(14)13-11(9)15/h1-4,9H,5-6H2,(H,13,14,15)
InChIKeyQWDSHHPDHGILCA-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.72
Rot. Bonds2

About 3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione

3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione (PubChem CID 91648396) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione
PubChem CID91648396
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione
SMILESO=C1CCC(Sc2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C11H10FNO2S/c12-7-1-3-8(4-2-7)16-9-5-6-10(14)13-11(9)15/h1-4,9H,5-6H2,(H,13,14,15)
InChIKeyQWDSHHPDHGILCA-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione?
The IUPAC name of 3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione (CID 91648396) is 3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione?
The canonical SMILES for 3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione is O=C1CCC(Sc2ccc(F)cc2)C(=O)N1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione?
The InChIKey is QWDSHHPDHGILCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c12-7-1-3-8(4-2-7)16-9-5-6-10(14)13-11(9)15/h1-4,9H,5-6H2,(H,13,14,15).
What are the key properties of 3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione?
3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione has a molecular weight of 239.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione is sourced from PubChem (CID 91648396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).