(4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C19H22N2O3S — CID 124912670

About (4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 124912670) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: (4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 124912670
• Molecular Formula: C19H22N2O3S
• Molecular Weight: 358.46 g/mol
• Exact Mass: 358.14
• IUPAC Name: (4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• SMILES: Cc1cc(C(=O)N2CC3(C[C@H](Oc4ccccn4)CCO3)C2)sc1C
• InChI: InChI=1S/C19H22N2O3S/c1-13-9-16(25-14(13)2)18(22)21-11-19(12-21)10-15(6-8-23-19)24-17-5-3-4-7-20-17/h3-5,7,9,15H,6,8,10-12H2,1-2H3/t15-/m1/s1
• InChIKey: WRWZCXHSWYGWQG-OAHLLOKOSA-N
• XLogP: 3.21
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.46
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The IUPAC name of (4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 124912670) is (4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The canonical SMILES for (4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1cc(C(=O)N2CC3(C[C@H](Oc4ccccn4)CCO3)C2)sc1C.

What is the InChIKey of (4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The InChIKey is WRWZCXHSWYGWQG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-9-16(25-14(13)2)18(22)21-11-19(12-21)10-15(6-8-23-19)24-17-5-3-4-7-20-17/h3-5,7,9,15H,6,8,10-12H2,1-2H3/t15-/m1/s1.

What are the key properties of (4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

(4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 358.46 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 124912670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).