4-phenylthiomorpholine-3,5-dione

C10H9NO2S — CID 715556

IUPAC4-phenylthiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1c1ccccc1
InChIInChI=1S/C10H9NO2S/c12-9-6-14-7-10(13)11(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyHTTJKKGJGRZWDM-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.29
Rot. Bonds1

About 4-phenylthiomorpholine-3,5-dione

4-phenylthiomorpholine-3,5-dione (PubChem CID 715556) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-phenylthiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-phenylthiomorpholine-3,5-dione
PubChem CID715556
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name4-phenylthiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1c1ccccc1
InChIInChI=1S/C10H9NO2S/c12-9-6-14-7-10(13)11(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyHTTJKKGJGRZWDM-UHFFFAOYSA-N
XLogP1.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
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 4-phenylthiomorpholine-3,5-dione?
The IUPAC name of 4-phenylthiomorpholine-3,5-dione (CID 715556) is 4-phenylthiomorpholine-3,5-dione.
What is the SMILES notation for 4-phenylthiomorpholine-3,5-dione?
The canonical SMILES for 4-phenylthiomorpholine-3,5-dione is O=C1CSCC(=O)N1c1ccccc1.
What is the InChIKey of 4-phenylthiomorpholine-3,5-dione?
The InChIKey is HTTJKKGJGRZWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-9-6-14-7-10(13)11(9)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 4-phenylthiomorpholine-3,5-dione?
4-phenylthiomorpholine-3,5-dione has a molecular weight of 207.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylthiomorpholine-3,5-dione is sourced from PubChem (CID 715556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).