5-nitrososulfanyl-1,3-diazinane-2,4,6-trione

C4H3N3O4S — CID 19689103

IUPAC5-nitrososulfanyl-1,3-diazinane-2,4,6-trione
SMILESO=NSC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C4H3N3O4S/c8-2-1(12-7-11)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)
InChIKeyQGNFMHRJFSKKHJ-UHFFFAOYSA-N
MW189.15 g/mol
LogP-0.86
Rot. Bonds2

About 5-nitrososulfanyl-1,3-diazinane-2,4,6-trione

5-nitrososulfanyl-1,3-diazinane-2,4,6-trione (PubChem CID 19689103) has the molecular formula C4H3N3O4S and a molecular weight of 189.15 g/mol. Its IUPAC name is 5-nitrososulfanyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-nitrososulfanyl-1,3-diazinane-2,4,6-trione
PubChem CID19689103
Molecular FormulaC4H3N3O4S
Molecular Weight189.15 g/mol
Exact Mass188.98
IUPAC Name5-nitrososulfanyl-1,3-diazinane-2,4,6-trione
SMILESO=NSC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C4H3N3O4S/c8-2-1(12-7-11)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)
InChIKeyQGNFMHRJFSKKHJ-UHFFFAOYSA-N
XLogP-0.86
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.15
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-nitrososulfanyl-1,3-diazinane-2,4,6-trione 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-nitrososulfanyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-nitrososulfanyl-1,3-diazinane-2,4,6-trione (CID 19689103) is 5-nitrososulfanyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-nitrososulfanyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-nitrososulfanyl-1,3-diazinane-2,4,6-trione is O=NSC1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-nitrososulfanyl-1,3-diazinane-2,4,6-trione?
The InChIKey is QGNFMHRJFSKKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O4S/c8-2-1(12-7-11)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10).
What are the key properties of 5-nitrososulfanyl-1,3-diazinane-2,4,6-trione?
5-nitrososulfanyl-1,3-diazinane-2,4,6-trione has a molecular weight of 189.15 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrososulfanyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 19689103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).