N-(2,3-dihydrothieno[3,4-b]furan-6-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine;hydrochloride

C23H31ClN2O2S — CID 174937368

About N-(2,3-dihydrothieno[3,4-b]furan-6-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine;hydrochloride

N-(2,3-dihydrothieno[3,4-b]furan-6-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine;hydrochloride (PubChem CID 174937368) has the molecular formula C23H31ClN2O2S and a molecular weight of 435.03 g/mol. Its IUPAC name is N-(2,3-dihydrothieno[3,4-b]furan-6-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine;hydrochloride.

Molecular Properties

• Compound Name: N-(2,3-dihydrothieno[3,4-b]furan-6-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine;hydrochloride
• PubChem CID: 174937368
• Molecular Formula: C23H31ClN2O2S
• Molecular Weight: 435.03 g/mol
• Exact Mass: 434.18
• IUPAC Name: N-(2,3-dihydrothieno[3,4-b]furan-6-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine;hydrochloride
• SMILES: Cl.c1ccc(C2(CCNCc3scc4c3OCC4)CCOC3(CCCC3)C2)nc1
• InChI: InChI=1S/C23H30N2O2S.ClH/c1-4-11-25-20(5-1)22(10-14-27-23(17-22)7-2-3-8-23)9-12-24-15-19-21-18(16-28-19)6-13-26-21;/h1,4-5,11,16,24H,2-3,6-10,12-15,17H2;1H
• InChIKey: IISFXSSVXGDYCR-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 43.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.03
LogP ≤ 5	5.04
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-(2,3-dihydrothieno[3,4-b]furan-6-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine;hydrochloride?

The IUPAC name of N-(2,3-dihydrothieno[3,4-b]furan-6-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine;hydrochloride (CID 174937368) is N-(2,3-dihydrothieno[3,4-b]furan-6-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine;hydrochloride.

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

The canonical SMILES for N-(2,3-dihydrothieno[3,4-b]furan-6-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine;hydrochloride is Cl.c1ccc(C2(CCNCc3scc4c3OCC4)CCOC3(CCCC3)C2)nc1.

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

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

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

N-(2,3-dihydrothieno[3,4-b]furan-6-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine;hydrochloride has a molecular weight of 435.03 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydrothieno[3,4-b]furan-6-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine;hydrochloride is sourced from PubChem (CID 174937368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).