(6R)-6-phenyl-1,3-thiazinane-2,4-dione

C10H9NO2S — CID 95857118

IUPAC(6R)-6-phenyl-1,3-thiazinane-2,4-dione
SMILESO=C1C[C@H](c2ccccc2)SC(=O)N1
InChIInChI=1S/C10H9NO2S/c12-9-6-8(14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)/t8-/m1/s1
InChIKeyRYUNWBGPJCWGPJ-MRVPVSSYSA-N
MW207.25 g/mol
LogP2.10
Rot. Bonds1

About (6R)-6-phenyl-1,3-thiazinane-2,4-dione

(6R)-6-phenyl-1,3-thiazinane-2,4-dione (PubChem CID 95857118) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is (6R)-6-phenyl-1,3-thiazinane-2,4-dione.

Molecular Properties

Compound Name(6R)-6-phenyl-1,3-thiazinane-2,4-dione
PubChem CID95857118
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name(6R)-6-phenyl-1,3-thiazinane-2,4-dione
SMILESO=C1C[C@H](c2ccccc2)SC(=O)N1
InChIInChI=1S/C10H9NO2S/c12-9-6-8(14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)/t8-/m1/s1
InChIKeyRYUNWBGPJCWGPJ-MRVPVSSYSA-N
XLogP2.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
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 (6R)-6-phenyl-1,3-thiazinane-2,4-dione?
The IUPAC name of (6R)-6-phenyl-1,3-thiazinane-2,4-dione (CID 95857118) is (6R)-6-phenyl-1,3-thiazinane-2,4-dione.
What is the SMILES notation for (6R)-6-phenyl-1,3-thiazinane-2,4-dione?
The canonical SMILES for (6R)-6-phenyl-1,3-thiazinane-2,4-dione is O=C1C[C@H](c2ccccc2)SC(=O)N1.
What is the InChIKey of (6R)-6-phenyl-1,3-thiazinane-2,4-dione?
The InChIKey is RYUNWBGPJCWGPJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-9-6-8(14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)/t8-/m1/s1.
What are the key properties of (6R)-6-phenyl-1,3-thiazinane-2,4-dione?
(6R)-6-phenyl-1,3-thiazinane-2,4-dione has a molecular weight of 207.25 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-phenyl-1,3-thiazinane-2,4-dione is sourced from PubChem (CID 95857118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).