3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C20H24N4O5S — CID 167732917

About 3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167732917) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 167732917
• Molecular Formula: C20H24N4O5S
• Molecular Weight: 432.50 g/mol
• Exact Mass: 432.15
• IUPAC Name: 3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(CN4CCS(=O)(=O)CC45CNC5)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C20H24N4O5S/c25-17-4-3-16(18(26)22-17)24-9-14-7-13(1-2-15(14)19(24)27)8-23-5-6-30(28,29)12-20(23)10-21-11-20/h1-2,7,16,21H,3-6,8-12H2,(H,22,25,26)
• InChIKey: ZLXCEPCJORAURI-UHFFFAOYSA-N
• XLogP: -0.98
• TPSA: 115.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.50
LogP ≤ 5	-0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167732917) is 3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(CN4CCS(=O)(=O)CC45CNC5)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is ZLXCEPCJORAURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c25-17-4-3-16(18(26)22-17)24-9-14-7-13(1-2-15(14)19(24)27)8-23-5-6-30(28,29)12-20(23)10-21-11-20/h1-2,7,16,21H,3-6,8-12H2,(H,22,25,26).

What are the key properties of 3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 432.50 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[(8,8-dioxo-8λ6-thia-2,5-diazaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167732917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).