1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone

C17H24N4O5S — CID 109122924

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone (PubChem CID 109122924) has the molecular formula C17H24N4O5S and a molecular weight of 396.47 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone.

Molecular Properties

• Compound Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone
• PubChem CID: 109122924
• Molecular Formula: C17H24N4O5S
• Molecular Weight: 396.47 g/mol
• Exact Mass: 396.15
• IUPAC Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone
• SMILES: CN(c1ccc(C(=O)N2CCC3(CC2)OCCO3)nn1)C1CCS(=O)(=O)C1
• InChI: InChI=1S/C17H24N4O5S/c1-20(13-4-11-27(23,24)12-13)15-3-2-14(18-19-15)16(22)21-7-5-17(6-8-21)25-9-10-26-17/h2-3,13H,4-12H2,1H3
• InChIKey: QRQSHSUSLJQTDE-UHFFFAOYSA-N
• XLogP: 0.08
• TPSA: 101.93 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.47
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone?

The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone (CID 109122924) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone.

What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone?

The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone is CN(c1ccc(C(=O)N2CCC3(CC2)OCCO3)nn1)C1CCS(=O)(=O)C1.

What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone?

The InChIKey is QRQSHSUSLJQTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S/c1-20(13-4-11-27(23,24)12-13)15-3-2-14(18-19-15)16(22)21-7-5-17(6-8-21)25-9-10-26-17/h2-3,13H,4-12H2,1H3.

What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone?

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone has a molecular weight of 396.47 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone is sourced from PubChem (CID 109122924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).