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

C5H7NO2S — CID 13448592

IUPAC5-methyl-1,3-thiazinane-2,4-dione
SMILESCC1CSC(=O)NC1=O
InChIInChI=1S/C5H7NO2S/c1-3-2-9-5(8)6-4(3)7/h3H,2H2,1H3,(H,6,7,8)
InChIKeyQNAJJUXGWTVAMQ-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.61
Rot. Bonds

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

5-methyl-1,3-thiazinane-2,4-dione (PubChem CID 13448592) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 5-methyl-1,3-thiazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-1,3-thiazinane-2,4-dione
PubChem CID13448592
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name5-methyl-1,3-thiazinane-2,4-dione
SMILESCC1CSC(=O)NC1=O
InChIInChI=1S/C5H7NO2S/c1-3-2-9-5(8)6-4(3)7/h3H,2H2,1H3,(H,6,7,8)
InChIKeyQNAJJUXGWTVAMQ-UHFFFAOYSA-N
XLogP0.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-1,3-thiazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-thiazinane-2,4-dione?
The IUPAC name of 5-methyl-1,3-thiazinane-2,4-dione (CID 13448592) is 5-methyl-1,3-thiazinane-2,4-dione.
What is the SMILES notation for 5-methyl-1,3-thiazinane-2,4-dione?
The canonical SMILES for 5-methyl-1,3-thiazinane-2,4-dione is CC1CSC(=O)NC1=O.
What is the InChIKey of 5-methyl-1,3-thiazinane-2,4-dione?
The InChIKey is QNAJJUXGWTVAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-3-2-9-5(8)6-4(3)7/h3H,2H2,1H3,(H,6,7,8).
What are the key properties of 5-methyl-1,3-thiazinane-2,4-dione?
5-methyl-1,3-thiazinane-2,4-dione has a molecular weight of 145.18 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-thiazinane-2,4-dione is sourced from PubChem (CID 13448592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).