[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone

C17H22N2O2S — CID 124815222

About [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone

[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 124815222) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone
• PubChem CID: 124815222
• Molecular Formula: C17H22N2O2S
• Molecular Weight: 318.44 g/mol
• Exact Mass: 318.14
• IUPAC Name: [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone
• SMILES: Cc1ccc(C(=O)N2CC3(C[C@@H](OCC4CC4)CS3)C2)cn1
• InChI: InChI=1S/C17H22N2O2S/c1-12-2-5-14(7-18-12)16(20)19-10-17(11-19)6-15(9-22-17)21-8-13-3-4-13/h2,5,7,13,15H,3-4,6,8-11H2,1H3/t15-/m1/s1
• InChIKey: NQQDMGBKWNQXSY-OAHLLOKOSA-N
• XLogP: 2.52
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.44
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone?

The IUPAC name of [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone (CID 124815222) is [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone.

What is the SMILES notation for [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone?

The canonical SMILES for [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CC3(C[C@@H](OCC4CC4)CS3)C2)cn1.

What is the InChIKey of [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone?

The InChIKey is NQQDMGBKWNQXSY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12-2-5-14(7-18-12)16(20)19-10-17(11-19)6-15(9-22-17)21-8-13-3-4-13/h2,5,7,13,15H,3-4,6,8-11H2,1H3/t15-/m1/s1.

What are the key properties of [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone?

[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 318.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 124815222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).