N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide

C14H24IN3OS — CID 109486841

IUPACN,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccco1)N1CCSC(CC)C1.I
InChIInChI=1S/C14H23N3OS.HI/c1-3-13-11-17(7-9-19-13)14(15-4-2)16-10-12-6-5-8-18-12;/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,15,16);1H
InChIKeyYCGNSYQTOHLGAM-UHFFFAOYSA-N
MW409.34 g/mol
LogP3.19
Rot. Bonds4

About N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide

N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109486841) has the molecular formula C14H24IN3OS and a molecular weight of 409.34 g/mol. Its IUPAC name is N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109486841
Molecular FormulaC14H24IN3OS
Molecular Weight409.34 g/mol
Exact Mass409.07
IUPAC NameN,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccco1)N1CCSC(CC)C1.I
InChIInChI=1S/C14H23N3OS.HI/c1-3-13-11-17(7-9-19-13)14(15-4-2)16-10-12-6-5-8-18-12;/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,15,16);1H
InChIKeyYCGNSYQTOHLGAM-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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

N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485431
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 110057565
N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109485860
N'-benzyl-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486214
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485905
N,2-diethyl-N'-[[2-(hydroxymethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485249
2-ethyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylthiomorpholine-4-carboximidamide
CID 136727070
N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485519
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484776
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486056
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 110057557
N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide
CID 109485304

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 109486841) is N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide is CCN/C(=N\Cc1ccco1)N1CCSC(CC)C1.I.
What is the InChIKey of N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is YCGNSYQTOHLGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS.HI/c1-3-13-11-17(7-9-19-13)14(15-4-2)16-10-12-6-5-8-18-12;/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,15,16);1H.
What are the key properties of N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide?
N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 409.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109486841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).