4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide

C19H24N4O3S — CID 137373726

About 4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide

4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide (PubChem CID 137373726) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide.

Molecular Properties

• Compound Name: 4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide
• PubChem CID: 137373726
• Molecular Formula: C19H24N4O3S
• Molecular Weight: 388.49 g/mol
• Exact Mass: 388.16
• IUPAC Name: 4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide
• SMILES: NS(=O)(=O)N1CCC2(CCC([C@@H]3c4ccccc4-c4cncn43)C2O)CC1
• InChI: InChI=1S/C19H24N4O3S/c20-27(25,26)22-9-7-19(8-10-22)6-5-15(18(19)24)17-14-4-2-1-3-13(14)16-11-21-12-23(16)17/h1-4,11-12,15,17-18,24H,5-10H2,(H2,20,25,26)/t15?,17-,18?/m0/s1
• InChIKey: OGBNXWMFKJHVHL-NXYGQSRBSA-N
• XLogP: 1.51
• TPSA: 101.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.49
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide?

The IUPAC name of 4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide (CID 137373726) is 4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide.

What is the SMILES notation for 4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide?

The canonical SMILES for 4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide is NS(=O)(=O)N1CCC2(CCC([C@@H]3c4ccccc4-c4cncn43)C2O)CC1.

What is the InChIKey of 4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide?

The InChIKey is OGBNXWMFKJHVHL-NXYGQSRBSA-N. The full InChI is InChI=1S/C19H24N4O3S/c20-27(25,26)22-9-7-19(8-10-22)6-5-15(18(19)24)17-14-4-2-1-3-13(14)16-11-21-12-23(16)17/h1-4,11-12,15,17-18,24H,5-10H2,(H2,20,25,26)/t15?,17-,18?/m0/s1.

What are the key properties of 4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide?

4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-sulfonamide is sourced from PubChem (CID 137373726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).