2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide

C14H24IN3OS — CID 109485905

IUPAC2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCC1CN(/C(=N/C)NCCc2ccco2)CCS1.I
InChIInChI=1S/C14H23N3OS.HI/c1-3-13-11-17(8-10-19-13)14(15-2)16-7-6-12-5-4-9-18-12;/h4-5,9,13H,3,6-8,10-11H2,1-2H3,(H,15,16);1H
InChIKeyWNOBRCZPWNNSQD-UHFFFAOYSA-N
MW409.34 g/mol
LogP2.84
Rot. Bonds4

About 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide

2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109485905) has the molecular formula C14H24IN3OS and a molecular weight of 409.34 g/mol. Its IUPAC name is 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109485905
Molecular FormulaC14H24IN3OS
Molecular Weight409.34 g/mol
Exact Mass409.07
IUPAC Name2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCC1CN(/C(=N/C)NCCc2ccco2)CCS1.I
InChIInChI=1S/C14H23N3OS.HI/c1-3-13-11-17(8-10-19-13)14(15-2)16-7-6-12-5-4-9-18-12;/h4-5,9,13H,3,6-8,10-11H2,1-2H3,(H,15,16);1H
InChIKeyWNOBRCZPWNNSQD-UHFFFAOYSA-N
XLogP2.84
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 110057565
2-ethyl-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485937
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 110057557
N-[2-(5-bromofuran-2-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
CID 109485362
N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486841
2-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485118
2-ethyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylthiomorpholine-4-carboximidamide
CID 136727070
2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484695
2-ethyl-N'-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485733
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109485455
2-ethyl-N'-methyl-N-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109485883
N-[2-(2,5-difluorophenyl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486079

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide (CID 109485905) is 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide is CCC1CN(/C(=N/C)NCCc2ccco2)CCS1.I.
What is the InChIKey of 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is WNOBRCZPWNNSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS.HI/c1-3-13-11-17(8-10-19-13)14(15-2)16-7-6-12-5-4-9-18-12;/h4-5,9,13H,3,6-8,10-11H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide?
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 409.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109485905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).