N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide

C13H20IN3OS — CID 111028465

IUPACN'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCOc1ccccc1)N1CCSCC1
InChIInChI=1S/C13H19N3OS.HI/c14-13(16-7-10-18-11-8-16)15-6-9-17-12-4-2-1-3-5-12;/h1-5H,6-11H2,(H2,14,15);1H
InChIKeyCKJUMTUKOQWHTM-UHFFFAOYSA-N
MW393.29 g/mol
LogP2.05
Rot. Bonds4

About N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide

N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111028465) has the molecular formula C13H20IN3OS and a molecular weight of 393.29 g/mol. Its IUPAC name is N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111028465
Molecular FormulaC13H20IN3OS
Molecular Weight393.29 g/mol
Exact Mass393.04
IUPAC NameN'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCOc1ccccc1)N1CCSCC1
InChIInChI=1S/C13H19N3OS.HI/c14-13(16-7-10-18-11-8-16)15-6-9-17-12-4-2-1-3-5-12;/h1-5H,6-11H2,(H2,14,15);1H
InChIKeyCKJUMTUKOQWHTM-UHFFFAOYSA-N
XLogP2.05
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide
CID 111074015
N'-[2-(4-butoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111049744
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111047747
N'-[3-(3,5-dimethoxyphenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111975623
N'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111089024
N'-[2-[4-(2-methylpropoxy)phenyl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111806309
N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111032037
N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide
CID 111043624
benzyl 5-[[amino(thiomorpholin-4-yl)methylidene]amino]pentanoate;hydroiodide
CID 110028879
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 111028465) is N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCOc1ccccc1)N1CCSCC1.
What is the InChIKey of N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is CKJUMTUKOQWHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS.HI/c14-13(16-7-10-18-11-8-16)15-6-9-17-12-4-2-1-3-5-12;/h1-5H,6-11H2,(H2,14,15);1H.
What are the key properties of N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide?
N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 393.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111028465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).