N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide

C10H17F3IN3S — CID 120973292

IUPACN'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(C(F)(F)F)CC1)N1CCSCC1
InChIInChI=1S/C10H16F3N3S.HI/c11-10(12,13)9(1-2-9)7-15-8(14)16-3-5-17-6-4-16;/h1-7H2,(H2,14,15);1H
InChIKeyZUABOOYJGOWJAU-UHFFFAOYSA-N
MW395.23 g/mol
LogP2.31
Rot. Bonds2

About N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 120973292) has the molecular formula C10H17F3IN3S and a molecular weight of 395.23 g/mol. Its IUPAC name is N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID120973292
Molecular FormulaC10H17F3IN3S
Molecular Weight395.23 g/mol
Exact Mass395.01
IUPAC NameN'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(C(F)(F)F)CC1)N1CCSCC1
InChIInChI=1S/C10H16F3N3S.HI/c11-10(12,13)9(1-2-9)7-15-8(14)16-3-5-17-6-4-16;/h1-7H2,(H2,14,15);1H
InChIKeyZUABOOYJGOWJAU-UHFFFAOYSA-N
XLogP2.31
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111800807
N'-(5,5,5-trifluoropentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 112412233
N'-(5,5,5-trifluoropentyl)thiomorpholine-4-carboximidamide
CID 112412234
N'-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120179086
N'-[[1-(difluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 120662408
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 120973293
N'-[[1-(trifluoromethyl)cyclobutyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120973504
N'-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiomorpholine-4-carboximidamide
CID 121767265
N'-[(3,3-difluorocyclobutyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 121855837
N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111814637
N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111824582
N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119120257

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 120973292) is N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC1(C(F)(F)F)CC1)N1CCSCC1.
What is the InChIKey of N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is ZUABOOYJGOWJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S.HI/c11-10(12,13)9(1-2-9)7-15-8(14)16-3-5-17-6-4-16;/h1-7H2,(H2,14,15);1H.
What are the key properties of N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 395.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120973292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).