[5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone

C17H19N3O5S — CID 131653564

About [5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone

[5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 131653564) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is [5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

• Compound Name: [5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone
• PubChem CID: 131653564
• Molecular Formula: C17H19N3O5S
• Molecular Weight: 377.42 g/mol
• Exact Mass: 377.10
• IUPAC Name: [5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone
• SMILES: Cc1ccc(C(=O)N2CC3(C2)C(COc2ncccn2)CCS3(=O)=O)o1
• InChI: InChI=1S/C17H19N3O5S/c1-12-3-4-14(25-12)15(21)20-10-17(11-20)13(5-8-26(17,22)23)9-24-16-18-6-2-7-19-16/h2-4,6-7,13H,5,8-11H2,1H3
• InChIKey: AWSZWBVKVNIREH-UHFFFAOYSA-N
• XLogP: 1.09
• TPSA: 102.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.42
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone?

The IUPAC name of [5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone (CID 131653564) is [5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone.

What is the SMILES notation for [5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone?

The canonical SMILES for [5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CC3(C2)C(COc2ncccn2)CCS3(=O)=O)o1.

What is the InChIKey of [5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone?

The InChIKey is AWSZWBVKVNIREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-12-3-4-14(25-12)15(21)20-10-17(11-20)13(5-8-26(17,22)23)9-24-16-18-6-2-7-19-16/h2-4,6-7,13H,5,8-11H2,1H3.

What are the key properties of [5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone?

[5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 377.42 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 131653564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).