8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane

C20H29N3O5S — CID 169143978

About 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane

8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 169143978) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
• PubChem CID: 169143978
• Molecular Formula: C20H29N3O5S
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.18
• IUPAC Name: 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
• SMILES: COc1ncc(C)cc1S(=O)(=O)N1CCC2(CC1)CC(N1CC3(COC3)C1)CO2
• InChI: InChI=1S/C20H29N3O5S/c1-15-7-17(18(26-2)21-9-15)29(24,25)23-5-3-20(4-6-23)8-16(10-28-20)22-11-19(12-22)13-27-14-19/h7,9,16H,3-6,8,10-14H2,1-2H3
• InChIKey: IHIDEKLFLAAKHO-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 81.20 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane?

The IUPAC name of 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane (CID 169143978) is 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane.

What is the SMILES notation for 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane?

The canonical SMILES for 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane is COc1ncc(C)cc1S(=O)(=O)N1CCC2(CC1)CC(N1CC3(COC3)C1)CO2.

What is the InChIKey of 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane?

The InChIKey is IHIDEKLFLAAKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-15-7-17(18(26-2)21-9-15)29(24,25)23-5-3-20(4-6-23)8-16(10-28-20)22-11-19(12-22)13-27-14-19/h7,9,16H,3-6,8,10-14H2,1-2H3.

What are the key properties of 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane?

8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 423.54 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 169143978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).