(5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine

C17H20N4OS — CID 137211103

About (5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine

(5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine (PubChem CID 137211103) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is (5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine.

Molecular Properties

• Compound Name: (5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
• PubChem CID: 137211103
• Molecular Formula: C17H20N4OS
• Molecular Weight: 328.44 g/mol
• Exact Mass: 328.14
• IUPAC Name: (5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
• SMILES: Cc1cc2ccc(/N=C3/C[C@@]4(CN5CCC4CC5)ON3)nc2s1
• InChI: InChI=1S/C17H20N4OS/c1-11-8-12-2-3-14(19-16(12)23-11)18-15-9-17(22-20-15)10-21-6-4-13(17)5-7-21/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,19,20)/t17-/m0/s1
• InChIKey: CRYBAURYPIBMAC-KRWDZBQOSA-N
• XLogP: 3.02
• TPSA: 49.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.44
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?

The IUPAC name of (5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine (CID 137211103) is (5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine.

What is the SMILES notation for (5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?

The canonical SMILES for (5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine is Cc1cc2ccc(/N=C3/C[C@@]4(CN5CCC4CC5)ON3)nc2s1.

What is the InChIKey of (5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?

The InChIKey is CRYBAURYPIBMAC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11-8-12-2-3-14(19-16(12)23-11)18-15-9-17(22-20-15)10-21-6-4-13(17)5-7-21/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,19,20)/t17-/m0/s1.

What are the key properties of (5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?

(5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine has a molecular weight of 328.44 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine is sourced from PubChem (CID 137211103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).