pyrido[3,4-c][1,2,6]oxathiazine

C6H4N2OS — CID 59512441

IUPACpyrido[3,4-c][1,2,6]oxathiazine
SMILESC1=NOSc2cnccc21
InChIInChI=1S/C6H4N2OS/c1-2-7-4-6-5(1)3-8-9-10-6/h1-4H
InChIKeyLWBGZEPZHXZBIG-UHFFFAOYSA-N
MW152.18 g/mol
LogP1.45
Rot. Bonds

About pyrido[3,4-c][1,2,6]oxathiazine

pyrido[3,4-c][1,2,6]oxathiazine (PubChem CID 59512441) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is pyrido[3,4-c][1,2,6]oxathiazine.

Molecular Properties

Compound Namepyrido[3,4-c][1,2,6]oxathiazine
PubChem CID59512441
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Namepyrido[3,4-c][1,2,6]oxathiazine
SMILESC1=NOSc2cnccc21
InChIInChI=1S/C6H4N2OS/c1-2-7-4-6-5(1)3-8-9-10-6/h1-4H
InChIKeyLWBGZEPZHXZBIG-UHFFFAOYSA-N
XLogP1.45
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze pyrido[3,4-c][1,2,6]oxathiazine 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 pyrido[3,4-c][1,2,6]oxathiazine?
The IUPAC name of pyrido[3,4-c][1,2,6]oxathiazine (CID 59512441) is pyrido[3,4-c][1,2,6]oxathiazine.
What is the SMILES notation for pyrido[3,4-c][1,2,6]oxathiazine?
The canonical SMILES for pyrido[3,4-c][1,2,6]oxathiazine is C1=NOSc2cnccc21.
What is the InChIKey of pyrido[3,4-c][1,2,6]oxathiazine?
The InChIKey is LWBGZEPZHXZBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c1-2-7-4-6-5(1)3-8-9-10-6/h1-4H.
What are the key properties of pyrido[3,4-c][1,2,6]oxathiazine?
pyrido[3,4-c][1,2,6]oxathiazine has a molecular weight of 152.18 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[3,4-c][1,2,6]oxathiazine is sourced from PubChem (CID 59512441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).