N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide

C10H14Cl2IN3OS — CID 86781929

IUPACN'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1cc(Cl)sc1Cl)N1CCOCC1
InChIInChI=1S/C10H13Cl2N3OS.HI/c11-8-5-7(9(12)17-8)6-14-10(13)15-1-3-16-4-2-15;/h5H,1-4,6H2,(H2,13,14);1H
InChIKeyYOVGNFMBXBPCNM-UHFFFAOYSA-N
MW422.12 g/mol
LogP2.82
Rot. Bonds2

About N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide

N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 86781929) has the molecular formula C10H14Cl2IN3OS and a molecular weight of 422.12 g/mol. Its IUPAC name is N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID86781929
Molecular FormulaC10H14Cl2IN3OS
Molecular Weight422.12 g/mol
Exact Mass420.93
IUPAC NameN'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1cc(Cl)sc1Cl)N1CCOCC1
InChIInChI=1S/C10H13Cl2N3OS.HI/c11-8-5-7(9(12)17-8)6-14-10(13)15-1-3-16-4-2-15;/h5H,1-4,6H2,(H2,13,14);1H
InChIKeyYOVGNFMBXBPCNM-UHFFFAOYSA-N
XLogP2.82
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.12
LogP ≤ 52.82
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-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
CID 111800968
N'-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119934022
N'-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111802643
N'-[[2-(dimethylamino)-4-methylphenyl]methyl]morpholine-4-carboximidamide
CID 111975223
N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide
CID 111815028
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111053453
N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119159369
N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 75534630
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111100700
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119119247

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 86781929) is N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\Cc1cc(Cl)sc1Cl)N1CCOCC1.
What is the InChIKey of N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is YOVGNFMBXBPCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3OS.HI/c11-8-5-7(9(12)17-8)6-14-10(13)15-1-3-16-4-2-15;/h5H,1-4,6H2,(H2,13,14);1H.
What are the key properties of N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 422.12 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 86781929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).