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

C19H23N3O4S2 — CID 146066422

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

1-[8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone (PubChem CID 146066422) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone.

Molecular Properties

• Compound Name: 1-[8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone
• PubChem CID: 146066422
• Molecular Formula: C19H23N3O4S2
• Molecular Weight: 421.54 g/mol
• Exact Mass: 421.11
• IUPAC Name: 1-[8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone
• SMILES: O=C(Cc1cccs1)N1CC2(C1)C(c1nc(C3CCCC3)no1)CCS2(=O)=O
• InChI: InChI=1S/C19H23N3O4S2/c23-16(10-14-6-3-8-27-14)22-11-19(12-22)15(7-9-28(19,24)25)18-20-17(21-26-18)13-4-1-2-5-13/h3,6,8,13,15H,1-2,4-5,7,9-12H2
• InChIKey: PPOCFRFNOQDITR-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 93.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.54
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone (CID 146066422) is 1-[8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone.

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

The canonical SMILES for 1-[8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CC2(C1)C(c1nc(C3CCCC3)no1)CCS2(=O)=O.

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

The InChIKey is PPOCFRFNOQDITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c23-16(10-14-6-3-8-27-14)22-11-19(12-22)15(7-9-28(19,24)25)18-20-17(21-26-18)13-4-1-2-5-13/h3,6,8,13,15H,1-2,4-5,7,9-12H2.

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

1-[8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone has a molecular weight of 421.54 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 146066422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).