5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione

C13H9N3O5S2 — CID 15654935

IUPAC5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESO=C1NC(=S)NC(=O)C1S(=O)(=O)c1ccc(O)c2ncccc12
InChIInChI=1S/C13H9N3O5S2/c17-7-3-4-8(6-2-1-5-14-9(6)7)23(20,21)10-11(18)15-13(22)16-12(10)19/h1-5,10,17H,(H2,15,16,18,19,22)
InChIKeyZLSLCSURYLYFSL-UHFFFAOYSA-N
MW351.37 g/mol
LogP-0.39
Rot. Bonds2

About 5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 15654935) has the molecular formula C13H9N3O5S2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID15654935
Molecular FormulaC13H9N3O5S2
Molecular Weight351.37 g/mol
Exact Mass351.00
IUPAC Name5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESO=C1NC(=S)NC(=O)C1S(=O)(=O)c1ccc(O)c2ncccc12
InChIInChI=1S/C13H9N3O5S2/c17-7-3-4-8(6-2-1-5-14-9(6)7)23(20,21)10-11(18)15-13(22)16-12(10)19/h1-5,10,17H,(H2,15,16,18,19,22)
InChIKeyZLSLCSURYLYFSL-UHFFFAOYSA-N
XLogP-0.39
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-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-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 15654935) is 5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione is O=C1NC(=S)NC(=O)C1S(=O)(=O)c1ccc(O)c2ncccc12.
What is the InChIKey of 5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The InChIKey is ZLSLCSURYLYFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O5S2/c17-7-3-4-8(6-2-1-5-14-9(6)7)23(20,21)10-11(18)15-13(22)16-12(10)19/h1-5,10,17H,(H2,15,16,18,19,22).
What are the key properties of 5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 351.37 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 15654935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).