[8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone

C20H24N4O4S — CID 146066431

About [8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone

[8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone (PubChem CID 146066431) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is [8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone
• PubChem CID: 146066431
• Molecular Formula: C20H24N4O4S
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.15
• IUPAC Name: [8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone
• SMILES: Cc1cccnc1C(=O)N1CC2(C1)C(c1nc(C3CCCC3)no1)CCS2(=O)=O
• InChI: InChI=1S/C20H24N4O4S/c1-13-5-4-9-21-16(13)19(25)24-11-20(12-24)15(8-10-29(20,26)27)18-22-17(23-28-18)14-6-2-3-7-14/h4-5,9,14-15H,2-3,6-8,10-12H2,1H3
• InChIKey: UDZMGLGPMGWIMC-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 106.26 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone?

The IUPAC name of [8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone (CID 146066431) is [8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone.

What is the SMILES notation for [8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone?

The canonical SMILES for [8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone is Cc1cccnc1C(=O)N1CC2(C1)C(c1nc(C3CCCC3)no1)CCS2(=O)=O.

What is the InChIKey of [8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone?

The InChIKey is UDZMGLGPMGWIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-13-5-4-9-21-16(13)19(25)24-11-20(12-24)15(8-10-29(20,26)27)18-22-17(23-28-18)14-6-2-3-7-14/h4-5,9,14-15H,2-3,6-8,10-12H2,1H3.

What are the key properties of [8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone?

[8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone has a molecular weight of 416.50 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 146066431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).