(7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate

C10H10N2O6S2 — CID 50998460

IUPAC(7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate
SMILESCS(=O)(=O)Oc1ccc2ccc(OS(C)(=O)=O)nc2n1
InChIInChI=1S/C10H10N2O6S2/c1-19(13,14)17-8-5-3-7-4-6-9(12-10(7)11-8)18-20(2,15)16/h3-6H,1-2H3
InChIKeyOGZOYRDXSZTWMD-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.31
Rot. Bonds4

About (7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate

(7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate (PubChem CID 50998460) has the molecular formula C10H10N2O6S2 and a molecular weight of 318.33 g/mol. Its IUPAC name is (7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate.

Molecular Properties

Compound Name(7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate
PubChem CID50998460
Molecular FormulaC10H10N2O6S2
Molecular Weight318.33 g/mol
Exact Mass318.00
IUPAC Name(7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate
SMILESCS(=O)(=O)Oc1ccc2ccc(OS(C)(=O)=O)nc2n1
InChIInChI=1S/C10H10N2O6S2/c1-19(13,14)17-8-5-3-7-4-6-9(12-10(7)11-8)18-20(2,15)16/h3-6H,1-2H3
InChIKeyOGZOYRDXSZTWMD-UHFFFAOYSA-N
XLogP0.31
TPSA112.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate 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 (7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate?
The IUPAC name of (7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate (CID 50998460) is (7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate.
What is the SMILES notation for (7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate?
The canonical SMILES for (7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate is CS(=O)(=O)Oc1ccc2ccc(OS(C)(=O)=O)nc2n1.
What is the InChIKey of (7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate?
The InChIKey is OGZOYRDXSZTWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6S2/c1-19(13,14)17-8-5-3-7-4-6-9(12-10(7)11-8)18-20(2,15)16/h3-6H,1-2H3.
What are the key properties of (7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate?
(7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate has a molecular weight of 318.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylsulfonyloxy-1,8-naphthyridin-2-yl) methanesulfonate is sourced from PubChem (CID 50998460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).