N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide

C19H33IN4O4S — CID 110059193

About N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide

N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide (PubChem CID 110059193) has the molecular formula C19H33IN4O4S and a molecular weight of 540.47 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide
• PubChem CID: 110059193
• Molecular Formula: C19H33IN4O4S
• Molecular Weight: 540.47 g/mol
• Exact Mass: 540.13
• IUPAC Name: N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide
• SMILES: CC1(C)CN(/C(=N/CCN2CCOCC2)NCCc2ccco2)CCS1(=O)=O.I
• InChI: InChI=1S/C19H32N4O4S.HI/c1-19(2)16-23(11-15-28(19,24)25)18(20-6-5-17-4-3-12-27-17)21-7-8-22-9-13-26-14-10-22;/h3-4,12H,5-11,13-16H2,1-2H3,(H,20,21);1H
• InChIKey: ZFTAHYNQDHZTKK-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.47
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide?

The IUPAC name of N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide (CID 110059193) is N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide.

What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide?

The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide is CC1(C)CN(/C(=N/CCN2CCOCC2)NCCc2ccco2)CCS1(=O)=O.I.

What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide?

The InChIKey is ZFTAHYNQDHZTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4S.HI/c1-19(2)16-23(11-15-28(19,24)25)18(20-6-5-17-4-3-12-27-17)21-7-8-22-9-13-26-14-10-22;/h3-4,12H,5-11,13-16H2,1-2H3,(H,20,21);1H.

What are the key properties of N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide?

N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide has a molecular weight of 540.47 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide is sourced from PubChem (CID 110059193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).