3-benzylsulfanylpiperidine-2,6-dione

C12H13NO2S — CID 142623291

IUPAC3-benzylsulfanylpiperidine-2,6-dione
SMILESO=C1CCC(SCc2ccccc2)C(=O)N1
InChIInChI=1S/C12H13NO2S/c14-11-7-6-10(12(15)13-11)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14,15)
InChIKeyQWOOTRSQFSTMBW-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.73
Rot. Bonds3

About 3-benzylsulfanylpiperidine-2,6-dione

3-benzylsulfanylpiperidine-2,6-dione (PubChem CID 142623291) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-benzylsulfanylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-benzylsulfanylpiperidine-2,6-dione
PubChem CID142623291
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name3-benzylsulfanylpiperidine-2,6-dione
SMILESO=C1CCC(SCc2ccccc2)C(=O)N1
InChIInChI=1S/C12H13NO2S/c14-11-7-6-10(12(15)13-11)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14,15)
InChIKeyQWOOTRSQFSTMBW-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.73
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-benzylsulfanylpiperidine-2,6-dione?
The IUPAC name of 3-benzylsulfanylpiperidine-2,6-dione (CID 142623291) is 3-benzylsulfanylpiperidine-2,6-dione.
What is the SMILES notation for 3-benzylsulfanylpiperidine-2,6-dione?
The canonical SMILES for 3-benzylsulfanylpiperidine-2,6-dione is O=C1CCC(SCc2ccccc2)C(=O)N1.
What is the InChIKey of 3-benzylsulfanylpiperidine-2,6-dione?
The InChIKey is QWOOTRSQFSTMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c14-11-7-6-10(12(15)13-11)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14,15).
What are the key properties of 3-benzylsulfanylpiperidine-2,6-dione?
3-benzylsulfanylpiperidine-2,6-dione has a molecular weight of 235.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanylpiperidine-2,6-dione is sourced from PubChem (CID 142623291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).