N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide

C13H19ClIN3OS — CID 111801083

IUPACN'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC(O)c1ccccc1Cl)N1CCSCC1
InChIInChI=1S/C13H18ClN3OS.HI/c14-11-4-2-1-3-10(11)12(18)9-16-13(15)17-5-7-19-8-6-17;/h1-4,12,18H,5-9H2,(H2,15,16);1H
InChIKeyYDGDZCUXDIGHCP-UHFFFAOYSA-N
MW427.74 g/mol
LogP2.35
Rot. Bonds3

About N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111801083) has the molecular formula C13H19ClIN3OS and a molecular weight of 427.74 g/mol. Its IUPAC name is N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111801083
Molecular FormulaC13H19ClIN3OS
Molecular Weight427.74 g/mol
Exact Mass427.00
IUPAC NameN'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC(O)c1ccccc1Cl)N1CCSCC1
InChIInChI=1S/C13H18ClN3OS.HI/c14-11-4-2-1-3-10(11)12(18)9-16-13(15)17-5-7-19-8-6-17;/h1-4,12,18H,5-9H2,(H2,15,16);1H
InChIKeyYDGDZCUXDIGHCP-UHFFFAOYSA-N
XLogP2.35
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.74
LogP ≤ 52.35
H-Bond Donors ≤ 52
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

tert-butyl 4-[N'-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111801073
N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111058255
N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111100273
N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide
CID 111054719
N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide
CID 111043624
N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111029283
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine
CID 111456543
N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111028465
N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111800155
N'-[2-(4-chlorophenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111820434
N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119119247
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111801107

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111801083) is N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC(O)c1ccccc1Cl)N1CCSCC1.
What is the InChIKey of N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is YDGDZCUXDIGHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS.HI/c14-11-4-2-1-3-10(11)12(18)9-16-13(15)17-5-7-19-8-6-17;/h1-4,12,18H,5-9H2,(H2,15,16);1H.
What are the key properties of N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 427.74 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111801083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).