3-phenylsulfanylpiperidine-2,6-dione

C11H11NO2S — CID 142623399

IUPAC3-phenylsulfanylpiperidine-2,6-dione
SMILESO=C1CCC(Sc2ccccc2)C(=O)N1
InChIInChI=1S/C11H11NO2S/c13-10-7-6-9(11(14)12-10)15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)
InChIKeyDVTWEZHTLIJLKO-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.58
Rot. Bonds2

About 3-phenylsulfanylpiperidine-2,6-dione

3-phenylsulfanylpiperidine-2,6-dione (PubChem CID 142623399) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-phenylsulfanylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-phenylsulfanylpiperidine-2,6-dione
PubChem CID142623399
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name3-phenylsulfanylpiperidine-2,6-dione
SMILESO=C1CCC(Sc2ccccc2)C(=O)N1
InChIInChI=1S/C11H11NO2S/c13-10-7-6-9(11(14)12-10)15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)
InChIKeyDVTWEZHTLIJLKO-UHFFFAOYSA-N
XLogP1.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.58
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-phenylsulfanylpiperidine-2,6-dione?
The IUPAC name of 3-phenylsulfanylpiperidine-2,6-dione (CID 142623399) is 3-phenylsulfanylpiperidine-2,6-dione.
What is the SMILES notation for 3-phenylsulfanylpiperidine-2,6-dione?
The canonical SMILES for 3-phenylsulfanylpiperidine-2,6-dione is O=C1CCC(Sc2ccccc2)C(=O)N1.
What is the InChIKey of 3-phenylsulfanylpiperidine-2,6-dione?
The InChIKey is DVTWEZHTLIJLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c13-10-7-6-9(11(14)12-10)15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14).
What are the key properties of 3-phenylsulfanylpiperidine-2,6-dione?
3-phenylsulfanylpiperidine-2,6-dione has a molecular weight of 221.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanylpiperidine-2,6-dione is sourced from PubChem (CID 142623399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).