N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide

C14H18FN3S — CID 111101079

IUPACN'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\C1CC1c1ccccc1F)N1CCSCC1
InChIInChI=1S/C14H18FN3S/c15-12-4-2-1-3-10(12)11-9-13(11)17-14(16)18-5-7-19-8-6-18/h1-4,11,13H,5-9H2,(H2,16,17)
InChIKeyWHQJJIGUZBMEPL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.05
Rot. Bonds2

About N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide

N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide (PubChem CID 111101079) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide
PubChem CID111101079
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC NameN'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\C1CC1c1ccccc1F)N1CCSCC1
InChIInChI=1S/C14H18FN3S/c15-12-4-2-1-3-10(12)11-9-13(11)17-14(16)18-5-7-19-8-6-18/h1-4,11,13H,5-9H2,(H2,16,17)
InChIKeyWHQJJIGUZBMEPL-UHFFFAOYSA-N
XLogP2.05
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.05
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'-[2-(2-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide
CID 111101017
N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide
CID 120666030
N'-[(1S,2R)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]thiomorpholine-4-carboximidamide
CID 120671512
4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide
CID 111101089
N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120606097
N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide
CID 111815372
1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine
CID 122098698
N'-(2,3-dihydro-1-benzofuran-3-yl)thiomorpholine-4-carboximidamide
CID 86792138
N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120671570
1-(3,5-dimethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111101022
N'-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]azepane-1-carboximidamide
CID 120606046
tert-butyl 4-[N'-[2-(2,6-difluorophenyl)cyclopropyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111815337

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide (CID 111101079) is N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide is N/C(=N\C1CC1c1ccccc1F)N1CCSCC1.
What is the InChIKey of N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide?
The InChIKey is WHQJJIGUZBMEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c15-12-4-2-1-3-10(12)11-9-13(11)17-14(16)18-5-7-19-8-6-18/h1-4,11,13H,5-9H2,(H2,16,17).
What are the key properties of N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide?
N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide has a molecular weight of 279.38 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111101079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).