sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride

C21H25N4NaO6S2 — CID 173120770

About sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride

sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride (PubChem CID 173120770) has the molecular formula C21H25N4NaO6S2 and a molecular weight of 516.58 g/mol. Its IUPAC name is sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride.

Molecular Properties

• Compound Name: sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride
• PubChem CID: 173120770
• Molecular Formula: C21H25N4NaO6S2
• Molecular Weight: 516.58 g/mol
• Exact Mass: 516.11
• IUPAC Name: sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride
• SMILES: CS(=O)(=O)c1ccccc1CNC(=O)c1nc(N2CCCCS2(O)O)c2cccnc2c1O.[H-].[Na+]
• InChI: InChI=1S/C21H24N4O6S2.Na.H/c1-32(28,29)16-9-3-2-7-14(16)13-23-21(27)18-19(26)17-15(8-6-10-22-17)20(24-18)25-11-4-5-12-33(25,30)31;;/h2-3,6-10,26,30-31H,4-5,11-13H2,1H3,(H,23,27);;/q;+1;-1
• InChIKey: GFVRSWKPSIRZCJ-UHFFFAOYSA-N
• XLogP: 0.05
• TPSA: 152.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.58
LogP ≤ 5	0.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride?

The IUPAC name of sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride (CID 173120770) is sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride.

What is the SMILES notation for sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride?

The canonical SMILES for sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride is CS(=O)(=O)c1ccccc1CNC(=O)c1nc(N2CCCCS2(O)O)c2cccnc2c1O.[H-].[Na+].

What is the InChIKey of sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride?

The InChIKey is GFVRSWKPSIRZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6S2.Na.H/c1-32(28,29)16-9-3-2-7-14(16)13-23-21(27)18-19(26)17-15(8-6-10-22-17)20(24-18)25-11-4-5-12-33(25,30)31;;/h2-3,6-10,26,30-31H,4-5,11-13H2,1H3,(H,23,27);;/q;+1;-1.

What are the key properties of sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride?

sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride has a molecular weight of 516.58 g/mol, XLogP of 0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride is sourced from PubChem (CID 173120770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).