N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide

C14H19FIN3S — CID 120606097

IUPACN'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\[C@@H]1C[C@H]1c1ccc(F)cc1)N1CCSCC1
InChIInChI=1S/C14H18FN3S.HI/c15-11-3-1-10(2-4-11)12-9-13(12)17-14(16)18-5-7-19-8-6-18;/h1-4,12-13H,5-9H2,(H2,16,17);1H/t12-,13+;/m0./s1
InChIKeyUHQBLRGFNYLCQR-JHEYCYPBSA-N
MW407.30 g/mol
LogP2.66
Rot. Bonds2

About N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 120606097) has the molecular formula C14H19FIN3S and a molecular weight of 407.30 g/mol. Its IUPAC name is N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID120606097
Molecular FormulaC14H19FIN3S
Molecular Weight407.30 g/mol
Exact Mass407.03
IUPAC NameN'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\[C@@H]1C[C@H]1c1ccc(F)cc1)N1CCSCC1
InChIInChI=1S/C14H18FN3S.HI/c15-11-3-1-10(2-4-11)12-9-13(12)17-14(16)18-5-7-19-8-6-18;/h1-4,12-13H,5-9H2,(H2,16,17);1H/t12-,13+;/m0./s1
InChIKeyUHQBLRGFNYLCQR-JHEYCYPBSA-N
XLogP2.66
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 52.66
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'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide
CID 111101079
N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide
CID 111096242
N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide
CID 120666030
N'-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]azepane-1-carboximidamide
CID 120606046
N'-[2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide;hydroiodide
CID 119120458
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120762820
4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide
CID 111101089
N'-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]thiomorpholine-4-carboximidamide
CID 120671536
N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide
CID 122095835
1-tert-butyl-2-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]guanidine
CID 120606076
N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide
CID 111815372
4-pyrimidin-2-yl-N'-[(1R,2S)-2-(3,4,5-trifluorophenyl)cyclopropyl]piperazine-1-carboximidamide
CID 120671406

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 120606097) is N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\[C@@H]1C[C@H]1c1ccc(F)cc1)N1CCSCC1.
What is the InChIKey of N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is UHQBLRGFNYLCQR-JHEYCYPBSA-N. The full InChI is InChI=1S/C14H18FN3S.HI/c15-11-3-1-10(2-4-11)12-9-13(12)17-14(16)18-5-7-19-8-6-18;/h1-4,12-13H,5-9H2,(H2,16,17);1H/t12-,13+;/m0./s1.
What are the key properties of N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 407.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120606097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).