N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine

C₂₃H₃₀N₂O₂S — CID 166626793

About N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine

N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine (PubChem CID 166626793) has the molecular formula C₂₃H₃₀N₂O₂S and a molecular weight of 398.57 g/mol. Its IUPAC name is N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine.

Molecular Properties

• Compound Name: N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
• PubChem CID: 166626793
• Molecular Formula: C₂₃H₃₀N₂O₂S
• Molecular Weight: 398.57 g/mol
• Exact Mass: 398.20
• IUPAC Name: N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
• SMILES: c1ccc([C@]2(CCNCc3scc4c3COC4)CCOC3(CCCC3)C2)nc1
• InChI: InChI=1S/C23H30N2O2S/c1-4-10-25-21(5-1)22(9-12-27-23(17-22)6-2-3-7-23)8-11-24-13-20-19-15-26-14-18(19)16-28-20/h1,4-5,10,16,24H,2-3,6-9,11-15,17H2/t22-/m1/s1
• InChIKey: NPDJGFAEJDZABQ-JOCHJYFZSA-N
• XLogP: 4.71
• TPSA: 43.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.57
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?

The IUPAC name of N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine (CID 166626793) is N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine.

What is the SMILES notation for N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?

The canonical SMILES for N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine is c1ccc([C@]2(CCNCc3scc4c3COC4)CCOC3(CCCC3)C2)nc1.

What is the InChIKey of N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?

The InChIKey is NPDJGFAEJDZABQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-4-10-25-21(5-1)22(9-12-27-23(17-22)6-2-3-7-23)8-11-24-13-20-19-15-26-14-18(19)16-28-20/h1,4-5,10,16,24H,2-3,6-9,11-15,17H2/t22-/m1/s1.

What are the key properties of N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?

N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine has a molecular weight of 398.57 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dihydrothieno[3,4-c]furan-4-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine is sourced from PubChem (CID 166626793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166626793 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.