7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol

C19H24N4O3S — CID 137387019

About 7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol

7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol (PubChem CID 137387019) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol.

Molecular Properties

• Compound Name: 7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol
• PubChem CID: 137387019
• Molecular Formula: C19H24N4O3S
• Molecular Weight: 388.49 g/mol
• Exact Mass: 388.16
• IUPAC Name: 7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol
• SMILES: NCS(=O)(=O)N1CCC2(CC1)CC(C1c3ccccc3-c3cncn31)C2O
• InChI: InChI=1S/C19H24N4O3S/c20-11-27(25,26)22-7-5-19(6-8-22)9-15(18(19)24)17-14-4-2-1-3-13(14)16-10-21-12-23(16)17/h1-4,10,12,15,17-18,24H,5-9,11,20H2
• InChIKey: NOGYBRPBWZVTNC-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 101.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.49
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol?

The IUPAC name of 7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol (CID 137387019) is 7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol.

What is the SMILES notation for 7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol?

The canonical SMILES for 7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol is NCS(=O)(=O)N1CCC2(CC1)CC(C1c3ccccc3-c3cncn31)C2O.

What is the InChIKey of 7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol?

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

What are the key properties of 7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol?

7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol has a molecular weight of 388.49 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(aminomethylsulfonyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-azaspiro[3.5]nonan-3-ol is sourced from PubChem (CID 137387019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).