N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide

C15H26IN3O2S — CID 109485431

IUPACN,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(O)c1ccco1)N1CCSC(CC)C1.I
InChIInChI=1S/C15H25N3O2S.HI/c1-3-12-11-18(7-9-21-12)15(16-4-2)17-10-13(19)14-6-5-8-20-14;/h5-6,8,12-13,19H,3-4,7,9-11H2,1-2H3,(H,16,17);1H
InChIKeyJSOKJAPNMSFWAP-UHFFFAOYSA-N
MW439.36 g/mol
LogP2.72
Rot. Bonds5

About N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide

N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109485431) has the molecular formula C15H26IN3O2S and a molecular weight of 439.36 g/mol. Its IUPAC name is N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109485431
Molecular FormulaC15H26IN3O2S
Molecular Weight439.36 g/mol
Exact Mass439.08
IUPAC NameN,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(O)c1ccco1)N1CCSC(CC)C1.I
InChIInChI=1S/C15H25N3O2S.HI/c1-3-12-11-18(7-9-21-12)15(16-4-2)17-10-13(19)14-6-5-8-20-14;/h5-6,8,12-13,19H,3-4,7,9-11H2,1-2H3,(H,16,17);1H
InChIKeyJSOKJAPNMSFWAP-UHFFFAOYSA-N
XLogP2.72
TPSA61.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486841
N,2-diethyl-N'-(2-hydroxy-3-phenylpropyl)thiomorpholine-4-carboximidamide
CID 109485916
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111994774
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109488193
N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486169
N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109485860
2-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485118
N'-benzyl-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486214
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 110057565
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960934
N,2-diethyl-N'-[[2-(hydroxymethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485249
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485905

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 109485431) is N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide is CCN/C(=N\CC(O)c1ccco1)N1CCSC(CC)C1.I.
What is the InChIKey of N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is JSOKJAPNMSFWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.HI/c1-3-12-11-18(7-9-21-12)15(16-4-2)17-10-13(19)14-6-5-8-20-14;/h5-6,8,12-13,19H,3-4,7,9-11H2,1-2H3,(H,16,17);1H.
What are the key properties of N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide?
N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 439.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109485431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).