[(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone

C19H23NO5S — CID 124912360

About [(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone

[(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 124912360) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is [(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

• Compound Name: [(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone
• PubChem CID: 124912360
• Molecular Formula: C19H23NO5S
• Molecular Weight: 377.46 g/mol
• Exact Mass: 377.13
• IUPAC Name: [(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone
• SMILES: CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1oc3ccccc3c1C)C2
• InChI: InChI=1S/C19H23NO5S/c1-3-24-10-14-8-9-26(22,23)19(14)11-20(12-19)18(21)17-13(2)15-6-4-5-7-16(15)25-17/h4-7,14H,3,8-12H2,1-2H3/t14-/m0/s1
• InChIKey: BSKGGXZQNZBQPC-AWEZNQCLSA-N
• XLogP: 2.41
• TPSA: 76.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.46
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone?

The IUPAC name of [(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone (CID 124912360) is [(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone.

What is the SMILES notation for [(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone?

The canonical SMILES for [(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone is CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1oc3ccccc3c1C)C2.

What is the InChIKey of [(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone?

The InChIKey is BSKGGXZQNZBQPC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-3-24-10-14-8-9-26(22,23)19(14)11-20(12-19)18(21)17-13(2)15-6-4-5-7-16(15)25-17/h4-7,14H,3,8-12H2,1-2H3/t14-/m0/s1.

What are the key properties of [(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone?

[(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 377.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 124912360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).