6-sulfonyl-1,3-diazinane-2,4-dione

C4H4N2O4S — CID 23120775

IUPAC6-sulfonyl-1,3-diazinane-2,4-dione
SMILESO=C1CC(=S(=O)=O)NC(=O)N1
InChIInChI=1S/C4H4N2O4S/c7-2-1-3(11(9)10)6-4(8)5-2/h1H2,(H2,5,6,7,8)
InChIKeyKUSSMYMWXDKWLP-UHFFFAOYSA-N
MW176.15 g/mol
LogP-1.78
Rot. Bonds

About 6-sulfonyl-1,3-diazinane-2,4-dione

6-sulfonyl-1,3-diazinane-2,4-dione (PubChem CID 23120775) has the molecular formula C4H4N2O4S and a molecular weight of 176.15 g/mol. Its IUPAC name is 6-sulfonyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-sulfonyl-1,3-diazinane-2,4-dione
PubChem CID23120775
Molecular FormulaC4H4N2O4S
Molecular Weight176.15 g/mol
Exact Mass175.99
IUPAC Name6-sulfonyl-1,3-diazinane-2,4-dione
SMILESO=C1CC(=S(=O)=O)NC(=O)N1
InChIInChI=1S/C4H4N2O4S/c7-2-1-3(11(9)10)6-4(8)5-2/h1H2,(H2,5,6,7,8)
InChIKeyKUSSMYMWXDKWLP-UHFFFAOYSA-N
XLogP-1.78
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-sulfonyl-1,3-diazinane-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 6-sulfonyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-sulfonyl-1,3-diazinane-2,4-dione (CID 23120775) is 6-sulfonyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-sulfonyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-sulfonyl-1,3-diazinane-2,4-dione is O=C1CC(=S(=O)=O)NC(=O)N1.
What is the InChIKey of 6-sulfonyl-1,3-diazinane-2,4-dione?
The InChIKey is KUSSMYMWXDKWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O4S/c7-2-1-3(11(9)10)6-4(8)5-2/h1H2,(H2,5,6,7,8).
What are the key properties of 6-sulfonyl-1,3-diazinane-2,4-dione?
6-sulfonyl-1,3-diazinane-2,4-dione has a molecular weight of 176.15 g/mol, XLogP of -1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfonyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 23120775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).