potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide

C20H26KN3O4S — CID 155658590

About potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide

potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide (PubChem CID 155658590) has the molecular formula C20H26KN3O4S and a molecular weight of 443.61 g/mol. Its IUPAC name is potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide.

Molecular Properties

• Compound Name: potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide
• PubChem CID: 155658590
• Molecular Formula: C20H26KN3O4S
• Molecular Weight: 443.61 g/mol
• Exact Mass: 443.13
• IUPAC Name: potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide
• SMILES: O=C([N-]S(=O)(=O)C1CN(C2CCOC2)C1)Nc1c2c(cc3c1CCC3)CCC2.[K+]
• InChI: InChI=1S/C20H27N3O4S.K/c24-20(22-28(25,26)16-10-23(11-16)15-7-8-27-12-15)21-19-17-5-1-3-13(17)9-14-4-2-6-18(14)19;/h9,15-16H,1-8,10-12H2,(H2,21,22,24);/q;+1/p-1
• InChIKey: LPSJFAKTEBPKCO-UHFFFAOYSA-M
• XLogP: -0.62
• TPSA: 89.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.61
LogP ≤ 5	-0.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide?

The IUPAC name of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide (CID 155658590) is potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide.

What is the SMILES notation for potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide?

The canonical SMILES for potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide is O=C([N-]S(=O)(=O)C1CN(C2CCOC2)C1)Nc1c2c(cc3c1CCC3)CCC2.[K+].

What is the InChIKey of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide?

The InChIKey is LPSJFAKTEBPKCO-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H27N3O4S.K/c24-20(22-28(25,26)16-10-23(11-16)15-7-8-27-12-15)21-19-17-5-1-3-13(17)9-14-4-2-6-18(14)19;/h9,15-16H,1-8,10-12H2,(H2,21,22,24);/q;+1/p-1.

What are the key properties of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide?

potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide has a molecular weight of 443.61 g/mol, XLogP of -0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide is sourced from PubChem (CID 155658590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).