N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide

C20H28IN3O3S — CID 110059075

About N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide

N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 110059075) has the molecular formula C20H28IN3O3S and a molecular weight of 517.43 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
• PubChem CID: 110059075
• Molecular Formula: C20H28IN3O3S
• Molecular Weight: 517.43 g/mol
• Exact Mass: 517.09
• IUPAC Name: N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
• SMILES: I.c1coc(CCN/C(=N\Cc2cccs2)N2CCOC(C3CCCO3)C2)c1
• InChI: InChI=1S/C20H27N3O3S.HI/c1-4-16(24-10-1)7-8-21-20(22-14-17-5-3-13-27-17)23-9-12-26-19(15-23)18-6-2-11-25-18;/h1,3-5,10,13,18-19H,2,6-9,11-12,14-15H2,(H,21,22);1H
• InChIKey: QJUHHLSRRNEDOW-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 59.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.43
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide?

The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide (CID 110059075) is N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide.

What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide?

The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide is I.c1coc(CCN/C(=N\Cc2cccs2)N2CCOC(C3CCCO3)C2)c1.

What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide?

The InChIKey is QJUHHLSRRNEDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S.HI/c1-4-16(24-10-1)7-8-21-20(22-14-17-5-3-13-27-17)23-9-12-26-19(15-23)18-6-2-11-25-18;/h1,3-5,10,13,18-19H,2,6-9,11-12,14-15H2,(H,21,22);1H.

What are the key properties of N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide?

N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 517.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 110059075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).