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

C17H24FN3S — CID 109488337

IUPACN-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
SMILESC/N=C(/NC1CC1c1ccccc1F)N1CCSC(C)(C)C1
InChIInChI=1S/C17H24FN3S/c1-17(2)11-21(8-9-22-17)16(19-3)20-15-10-13(15)12-6-4-5-7-14(12)18/h4-7,13,15H,8-11H2,1-3H3,(H,19,20)
InChIKeyYQWFZVKOCJCEDF-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.08
Rot. Bonds2

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

N-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide (PubChem CID 109488337) has the molecular formula C17H24FN3S and a molecular weight of 321.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
PubChem CID109488337
Molecular FormulaC17H24FN3S
Molecular Weight321.46 g/mol
Exact Mass321.17
IUPAC NameN-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
SMILESC/N=C(/NC1CC1c1ccccc1F)N1CCSC(C)(C)C1
InChIInChI=1S/C17H24FN3S/c1-17(2)11-21(8-9-22-17)16(19-3)20-15-10-13(15)12-6-4-5-7-14(12)18/h4-7,13,15H,8-11H2,1-3H3,(H,19,20)
InChIKeyYQWFZVKOCJCEDF-UHFFFAOYSA-N
XLogP3.08
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.08
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'}

Analyze N-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
The IUPAC name of N-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide (CID 109488337) is N-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide is C/N=C(/NC1CC1c1ccccc1F)N1CCSC(C)(C)C1.
What is the InChIKey of N-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
The InChIKey is YQWFZVKOCJCEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3S/c1-17(2)11-21(8-9-22-17)16(19-3)20-15-10-13(15)12-6-4-5-7-14(12)18/h4-7,13,15H,8-11H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
N-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide has a molecular weight of 321.46 g/mol, XLogP of 3.08, 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]-N',2,2-trimethylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109488337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).