N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide

C18H24IN3OS — CID 111081716

IUPACN'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCSCc1cccc2ccccc12)N1CCOCC1
InChIInChI=1S/C18H23N3OS.HI/c19-18(21-9-11-22-12-10-21)20-8-13-23-14-16-6-3-5-15-4-1-2-7-17(15)16;/h1-7H,8-14H2,(H2,19,20);1H
InChIKeyYPVURCXXRARLIE-UHFFFAOYSA-N
MW457.38 g/mol
LogP3.34
Rot. Bonds5

About N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide

N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111081716) has the molecular formula C18H24IN3OS and a molecular weight of 457.38 g/mol. Its IUPAC name is N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111081716
Molecular FormulaC18H24IN3OS
Molecular Weight457.38 g/mol
Exact Mass457.07
IUPAC NameN'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCSCc1cccc2ccccc12)N1CCOCC1
InChIInChI=1S/C18H23N3OS.HI/c19-18(21-9-11-22-12-10-21)20-8-13-23-14-16-6-3-5-15-4-1-2-7-17(15)16;/h1-7H,8-14H2,(H2,19,20);1H
InChIKeyYPVURCXXRARLIE-UHFFFAOYSA-N
XLogP3.34
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 53.34
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-ylethyl)piperidine-1-carboximidamide
CID 111060631
N'-(2-phenylsulfanylethyl)morpholine-4-carboximidamide
CID 111033052
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
N'-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111802643
N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 75534630
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111055482
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111053453
N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111807931
morpholin-4-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 31695814
N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide
CID 122096289
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
N'-[2-(benzenesulfonyl)ethyl]morpholine-4-carboximidamide
CID 111065084

Frequently Asked Questions

What is the IUPAC name of N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide (CID 111081716) is N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCSCc1cccc2ccccc12)N1CCOCC1.
What is the InChIKey of N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is YPVURCXXRARLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS.HI/c19-18(21-9-11-22-12-10-21)20-8-13-23-14-16-6-3-5-15-4-1-2-7-17(15)16;/h1-7H,8-14H2,(H2,19,20);1H.
What are the key properties of N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 457.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111081716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).