2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone

C19H26N2O3S — CID 124785892

About 2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone

2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 124785892) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
• PubChem CID: 124785892
• Molecular Formula: C19H26N2O3S
• Molecular Weight: 362.50 g/mol
• Exact Mass: 362.17
• IUPAC Name: 2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
• SMILES: O=C(COC1CCCC1)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1
• InChI: InChI=1S/C19H26N2O3S/c22-18(11-24-16-5-1-2-6-16)21-13-19(14-21)8-17(12-25-19)23-10-15-4-3-7-20-9-15/h3-4,7,9,16-17H,1-2,5-6,8,10-14H2/t17-/m1/s1
• InChIKey: MFEPJRFNZCSFGZ-QGZVFWFLSA-N
• XLogP: 2.64
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.50
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?

The IUPAC name of 2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone (CID 124785892) is 2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone.

What is the SMILES notation for 2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?

The canonical SMILES for 2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone is O=C(COC1CCCC1)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1.

What is the InChIKey of 2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?

The InChIKey is MFEPJRFNZCSFGZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O3S/c22-18(11-24-16-5-1-2-6-16)21-13-19(14-21)8-17(12-25-19)23-10-15-4-3-7-20-9-15/h3-4,7,9,16-17H,1-2,5-6,8,10-14H2/t17-/m1/s1.

What are the key properties of 2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?

2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 362.50 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 124785892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).