2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione

C14H14N2O3S — CID 59888060

IUPAC2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione
SMILESCC1SCC(N2C(=O)c3ccccc3C2=O)C(=O)N1C
InChIInChI=1S/C14H14N2O3S/c1-8-15(2)14(19)11(7-20-8)16-12(17)9-5-3-4-6-10(9)13(16)18/h3-6,8,11H,7H2,1-2H3
InChIKeyGFKJBWHQQKECMN-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.20
Rot. Bonds1

About 2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione

2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione (PubChem CID 59888060) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione
PubChem CID59888060
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione
SMILESCC1SCC(N2C(=O)c3ccccc3C2=O)C(=O)N1C
InChIInChI=1S/C14H14N2O3S/c1-8-15(2)14(19)11(7-20-8)16-12(17)9-5-3-4-6-10(9)13(16)18/h3-6,8,11H,7H2,1-2H3
InChIKeyGFKJBWHQQKECMN-UHFFFAOYSA-N
XLogP1.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione (CID 59888060) is 2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione is CC1SCC(N2C(=O)c3ccccc3C2=O)C(=O)N1C.
What is the InChIKey of 2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione?
The InChIKey is GFKJBWHQQKECMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-15(2)14(19)11(7-20-8)16-12(17)9-5-3-4-6-10(9)13(16)18/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione?
2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione has a molecular weight of 290.34 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-4-oxo-1,3-thiazinan-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 59888060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).