6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane

C21H22ClN7O6S — CID 157360078

About 6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane

6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane (PubChem CID 157360078) has the molecular formula C21H22ClN7O6S and a molecular weight of 535.97 g/mol. Its IUPAC name is 6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane.

Molecular Properties

• Compound Name: 6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane
• PubChem CID: 157360078
• Molecular Formula: C21H22ClN7O6S
• Molecular Weight: 535.97 g/mol
• Exact Mass: 535.10
• IUPAC Name: 6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane
• SMILES: Cn1c(=O)ccc2ncc(Cl)c(OCCNC[C@H]3CN(c4cnc5c(n4)NC(=O)CO5)C(=O)O3)c21.S
• InChI: InChI=1S/C21H20ClN7O6.H2S/c1-28-16(31)3-2-13-17(28)18(12(22)7-24-13)33-5-4-23-6-11-9-29(21(32)35-11)14-8-25-20-19(26-14)27-15(30)10-34-20;/h2-3,7-8,11,23H,4-6,9-10H2,1H3,(H,26,27,30);1H2/t11-;/m0./s1
• InChIKey: BINOJGIHQWNZGJ-MERQFXBCSA-N
• XLogP: 0.81
• TPSA: 149.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.97
LogP ≤ 5	0.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane?

The IUPAC name of 6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane (CID 157360078) is 6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane.

What is the SMILES notation for 6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane?

The canonical SMILES for 6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane is Cn1c(=O)ccc2ncc(Cl)c(OCCNC[C@H]3CN(c4cnc5c(n4)NC(=O)CO5)C(=O)O3)c21.S.

What is the InChIKey of 6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane?

The InChIKey is BINOJGIHQWNZGJ-MERQFXBCSA-N. The full InChI is InChI=1S/C21H20ClN7O6.H2S/c1-28-16(31)3-2-13-17(28)18(12(22)7-24-13)33-5-4-23-6-11-9-29(21(32)35-11)14-8-25-20-19(26-14)27-15(30)10-34-20;/h2-3,7-8,11,23H,4-6,9-10H2,1H3,(H,26,27,30);1H2/t11-;/m0./s1.

What are the key properties of 6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane?

6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane has a molecular weight of 535.97 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane is sourced from PubChem (CID 157360078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).