1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone

C19H22N2O2S2 — CID 131677676

About 1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone

1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone (PubChem CID 131677676) has the molecular formula C19H22N2O2S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone.

Molecular Properties

• Compound Name: 1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone
• PubChem CID: 131677676
• Molecular Formula: C19H22N2O2S2
• Molecular Weight: 374.53 g/mol
• Exact Mass: 374.11
• IUPAC Name: 1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone
• SMILES: Cc1cccc(COC2CSC3(C2)CN(C(=O)Cc2ccsc2)C3)n1
• InChI: InChI=1S/C19H22N2O2S2/c1-14-3-2-4-16(20-14)9-23-17-8-19(25-11-17)12-21(13-19)18(22)7-15-5-6-24-10-15/h2-6,10,17H,7-9,11-13H2,1H3
• InChIKey: JPBMZFXIRLHKHD-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 42.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.53
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone?

The IUPAC name of 1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone (CID 131677676) is 1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone.

What is the SMILES notation for 1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone?

The canonical SMILES for 1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone is Cc1cccc(COC2CSC3(C2)CN(C(=O)Cc2ccsc2)C3)n1.

What is the InChIKey of 1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone?

The InChIKey is JPBMZFXIRLHKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S2/c1-14-3-2-4-16(20-14)9-23-17-8-19(25-11-17)12-21(13-19)18(22)7-15-5-6-24-10-15/h2-6,10,17H,7-9,11-13H2,1H3.

What are the key properties of 1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone?

1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone has a molecular weight of 374.53 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 131677676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).