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

C11H10FNO2S — CID 99784231

IUPAC(3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione
SMILESO=C1CC[C@@H](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)/t9-/m1/s1
InChIKeyQWDSHHPDHGILCA-SECBINFHSA-N
MW239.27 g/mol
LogP1.72
Rot. Bonds2

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

(3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione (PubChem CID 99784231) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione
PubChem CID99784231
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name(3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione
SMILESO=C1CC[C@@H](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)/t9-/m1/s1
InChIKeyQWDSHHPDHGILCA-SECBINFHSA-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'}

Analyze (3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione?
The IUPAC name of (3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione (CID 99784231) is (3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione?
The canonical SMILES for (3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione is O=C1CC[C@@H](Sc2ccc(F)cc2)C(=O)N1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione?
The InChIKey is QWDSHHPDHGILCA-SECBINFHSA-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)/t9-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione?
(3R)-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 (3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione is sourced from PubChem (CID 99784231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).