(2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

C19H26N2O4S — CID 124791149

About (2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

(2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124791149) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

• Compound Name: (2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
• PubChem CID: 124791149
• Molecular Formula: C19H26N2O4S
• Molecular Weight: 378.49 g/mol
• Exact Mass: 378.16
• IUPAC Name: (2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
• SMILES: COc1ncccc1C(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1
• InChI: InChI=1S/C19H26N2O4S/c1-23-17-16(3-2-6-20-17)18(22)21-12-19(13-21)9-15(11-26-19)25-10-14-4-7-24-8-5-14/h2-3,6,14-15H,4-5,7-13H2,1H3/t15-/m1/s1
• InChIKey: LOJLTWLRNKHNTC-OAHLLOKOSA-N
• XLogP: 2.23
• TPSA: 60.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.49
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The IUPAC name of (2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (CID 124791149) is (2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

What is the SMILES notation for (2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The canonical SMILES for (2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is COc1ncccc1C(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1.

What is the InChIKey of (2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The InChIKey is LOJLTWLRNKHNTC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-23-17-16(3-2-6-20-17)18(22)21-12-19(13-21)9-15(11-26-19)25-10-14-4-7-24-8-5-14/h2-3,6,14-15H,4-5,7-13H2,1H3/t15-/m1/s1.

What are the key properties of (2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

(2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 378.49 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124791149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).