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

C10H16F3N3S — CID 120973293

IUPACN'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CC1(C(F)(F)F)CC1)N1CCSCC1
InChIInChI=1S/C10H16F3N3S/c11-10(12,13)9(1-2-9)7-15-8(14)16-3-5-17-6-4-16/h1-7H2,(H2,14,15)
InChIKeyPQQLXVGXIORETN-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.69
Rot. Bonds2

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

N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide (PubChem CID 120973293) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
PubChem CID120973293
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC NameN'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CC1(C(F)(F)F)CC1)N1CCSCC1
InChIInChI=1S/C10H16F3N3S/c11-10(12,13)9(1-2-9)7-15-8(14)16-3-5-17-6-4-16/h1-7H2,(H2,14,15)
InChIKeyPQQLXVGXIORETN-UHFFFAOYSA-N
XLogP1.69
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.69
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'}

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Related Compounds

N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide
CID 111800808
N'-(5,5,5-trifluoropentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 112412233
N'-(5,5,5-trifluoropentyl)thiomorpholine-4-carboximidamide
CID 112412234
N'-[[1-(difluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 120662408
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120973292
N'-[[1-(trifluoromethyl)cyclobutyl]methyl]thiomorpholine-4-carboximidamide
CID 120973505
N'-[(1S,2S)-2-(difluoromethyl)cyclopropyl]thiomorpholine-4-carboximidamide
CID 121767265
N'-[(3,3-difluorocyclobutyl)methyl]thiomorpholine-4-carboximidamide
CID 121855838
N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide
CID 111814638
N'-[(1-ethylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
CID 111824583
N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119120257
N'-(2,2-dimethylcyclopropyl)thiomorpholine-4-carboximidamide
CID 119120258

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide (CID 120973293) is N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide is N/C(=N\CC1(C(F)(F)F)CC1)N1CCSCC1.
What is the InChIKey of N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide?
The InChIKey is PQQLXVGXIORETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c11-10(12,13)9(1-2-9)7-15-8(14)16-3-5-17-6-4-16/h1-7H2,(H2,14,15).
What are the key properties of N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide?
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide has a molecular weight of 267.32 g/mol, XLogP of 1.69, 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 is sourced from PubChem (CID 120973293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).