N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

C19H24IN3OS — CID 111047747

IUPACN'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1cccc(OCc2ccccc2)c1)N1CCSCC1
InChIInChI=1S/C19H23N3OS.HI/c20-19(22-9-11-24-12-10-22)21-14-17-7-4-8-18(13-17)23-15-16-5-2-1-3-6-16;/h1-8,13H,9-12,14-15H2,(H2,20,21);1H
InChIKeyRSADRXNUHVGZGO-UHFFFAOYSA-N
MW469.39 g/mol
LogP3.75
Rot. Bonds5

About N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111047747) has the molecular formula C19H24IN3OS and a molecular weight of 469.39 g/mol. Its IUPAC name is N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111047747
Molecular FormulaC19H24IN3OS
Molecular Weight469.39 g/mol
Exact Mass469.07
IUPAC NameN'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1cccc(OCc2ccccc2)c1)N1CCSCC1
InChIInChI=1S/C19H23N3OS.HI/c20-19(22-9-11-24-12-10-22)21-14-17-7-4-8-18(13-17)23-15-16-5-2-1-3-6-16;/h1-8,13H,9-12,14-15H2,(H2,20,21);1H
InChIKeyRSADRXNUHVGZGO-UHFFFAOYSA-N
XLogP3.75
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.39
LogP ≤ 53.75
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'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111047716
N'-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048101
N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111083185
benzyl 5-[[amino(thiomorpholin-4-yl)methylidene]amino]pentanoate;hydroiodide
CID 110028879
N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111049500
1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea
CID 75533054
N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111047873
3-methyl-N'-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111047995
N'-[(3-ethoxy-4-methoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111809132
N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide
CID 75467048
N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111093347

Frequently Asked Questions

What is the IUPAC name of N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111047747) is N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\Cc1cccc(OCc2ccccc2)c1)N1CCSCC1.
What is the InChIKey of N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is RSADRXNUHVGZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS.HI/c20-19(22-9-11-24-12-10-22)21-14-17-7-4-8-18(13-17)23-15-16-5-2-1-3-6-16;/h1-8,13H,9-12,14-15H2,(H2,20,21);1H.
What are the key properties of N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 469.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111047747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).