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

C11H9F2NO2S — CID 142623341

IUPAC3-(3,4-difluorophenyl)sulfanylpiperidine-2,6-dione
SMILESO=C1CCC(Sc2ccc(F)c(F)c2)C(=O)N1
InChIInChI=1S/C11H9F2NO2S/c12-7-2-1-6(5-8(7)13)17-9-3-4-10(15)14-11(9)16/h1-2,5,9H,3-4H2,(H,14,15,16)
InChIKeyHSWPMXWWUZMRKN-UHFFFAOYSA-N
MW257.26 g/mol
LogP1.86
Rot. Bonds2

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

3-(3,4-difluorophenyl)sulfanylpiperidine-2,6-dione (PubChem CID 142623341) has the molecular formula C11H9F2NO2S and a molecular weight of 257.26 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfanylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfanylpiperidine-2,6-dione
PubChem CID142623341
Molecular FormulaC11H9F2NO2S
Molecular Weight257.26 g/mol
Exact Mass257.03
IUPAC Name3-(3,4-difluorophenyl)sulfanylpiperidine-2,6-dione
SMILESO=C1CCC(Sc2ccc(F)c(F)c2)C(=O)N1
InChIInChI=1S/C11H9F2NO2S/c12-7-2-1-6(5-8(7)13)17-9-3-4-10(15)14-11(9)16/h1-2,5,9H,3-4H2,(H,14,15,16)
InChIKeyHSWPMXWWUZMRKN-UHFFFAOYSA-N
XLogP1.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.86
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-(3,4-difluorophenyl)sulfanylpiperidine-2,6-dione?
The IUPAC name of 3-(3,4-difluorophenyl)sulfanylpiperidine-2,6-dione (CID 142623341) is 3-(3,4-difluorophenyl)sulfanylpiperidine-2,6-dione.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfanylpiperidine-2,6-dione?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfanylpiperidine-2,6-dione is O=C1CCC(Sc2ccc(F)c(F)c2)C(=O)N1.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfanylpiperidine-2,6-dione?
The InChIKey is HSWPMXWWUZMRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2S/c12-7-2-1-6(5-8(7)13)17-9-3-4-10(15)14-11(9)16/h1-2,5,9H,3-4H2,(H,14,15,16).
What are the key properties of 3-(3,4-difluorophenyl)sulfanylpiperidine-2,6-dione?
3-(3,4-difluorophenyl)sulfanylpiperidine-2,6-dione has a molecular weight of 257.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfanylpiperidine-2,6-dione is sourced from PubChem (CID 142623341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).