3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione

C11H9Cl2NO2S — CID 142623511

IUPAC3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione
SMILESO=C1CCC(Sc2cc(Cl)ccc2Cl)C(=O)N1
InChIInChI=1S/C11H9Cl2NO2S/c12-6-1-2-7(13)9(5-6)17-8-3-4-10(15)14-11(8)16/h1-2,5,8H,3-4H2,(H,14,15,16)
InChIKeyRELOQJLEQIBROD-UHFFFAOYSA-N
MW290.17 g/mol
LogP2.89
Rot. Bonds2

About 3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione

3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione (PubChem CID 142623511) has the molecular formula C11H9Cl2NO2S and a molecular weight of 290.17 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione
PubChem CID142623511
Molecular FormulaC11H9Cl2NO2S
Molecular Weight290.17 g/mol
Exact Mass288.97
IUPAC Name3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione
SMILESO=C1CCC(Sc2cc(Cl)ccc2Cl)C(=O)N1
InChIInChI=1S/C11H9Cl2NO2S/c12-6-1-2-7(13)9(5-6)17-8-3-4-10(15)14-11(8)16/h1-2,5,8H,3-4H2,(H,14,15,16)
InChIKeyRELOQJLEQIBROD-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 52.89
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-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione (CID 142623511) is 3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione is O=C1CCC(Sc2cc(Cl)ccc2Cl)C(=O)N1.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione?
The InChIKey is RELOQJLEQIBROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2S/c12-6-1-2-7(13)9(5-6)17-8-3-4-10(15)14-11(8)16/h1-2,5,8H,3-4H2,(H,14,15,16).
What are the key properties of 3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione?
3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione has a molecular weight of 290.17 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfanylpiperidine-2,6-dione is sourced from PubChem (CID 142623511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).