3,5,5-triphenyl-1,3-thiazinane-2,4-dione

C22H17NO2S — CID 19838635

IUPAC3,5,5-triphenyl-1,3-thiazinane-2,4-dione
SMILESO=C1SCC(c2ccccc2)(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C22H17NO2S/c24-20-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-26-21(25)23(20)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyXLOUXPWLZMSVLW-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.87
Rot. Bonds3

About 3,5,5-triphenyl-1,3-thiazinane-2,4-dione

3,5,5-triphenyl-1,3-thiazinane-2,4-dione (PubChem CID 19838635) has the molecular formula C22H17NO2S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3,5,5-triphenyl-1,3-thiazinane-2,4-dione.

Molecular Properties

Compound Name3,5,5-triphenyl-1,3-thiazinane-2,4-dione
PubChem CID19838635
Molecular FormulaC22H17NO2S
Molecular Weight359.45 g/mol
Exact Mass359.10
IUPAC Name3,5,5-triphenyl-1,3-thiazinane-2,4-dione
SMILESO=C1SCC(c2ccccc2)(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C22H17NO2S/c24-20-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-26-21(25)23(20)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyXLOUXPWLZMSVLW-UHFFFAOYSA-N
XLogP4.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-triphenyl-1,3-thiazinane-2,4-dione?
The IUPAC name of 3,5,5-triphenyl-1,3-thiazinane-2,4-dione (CID 19838635) is 3,5,5-triphenyl-1,3-thiazinane-2,4-dione.
What is the SMILES notation for 3,5,5-triphenyl-1,3-thiazinane-2,4-dione?
The canonical SMILES for 3,5,5-triphenyl-1,3-thiazinane-2,4-dione is O=C1SCC(c2ccccc2)(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 3,5,5-triphenyl-1,3-thiazinane-2,4-dione?
The InChIKey is XLOUXPWLZMSVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2S/c24-20-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-26-21(25)23(20)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of 3,5,5-triphenyl-1,3-thiazinane-2,4-dione?
3,5,5-triphenyl-1,3-thiazinane-2,4-dione has a molecular weight of 359.45 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-triphenyl-1,3-thiazinane-2,4-dione is sourced from PubChem (CID 19838635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).