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

C13H18FN3S — CID 111025561

IUPACN'-[2-(4-fluorophenyl)ethyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CCc1ccc(F)cc1)N1CCSCC1
InChIInChI=1S/C13H18FN3S/c14-12-3-1-11(2-4-12)5-6-16-13(15)17-7-9-18-10-8-17/h1-4H,5-10H2,(H2,15,16)
InChIKeyRHOIOTXHGYIFIK-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.73
Rot. Bonds3

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

N'-[2-(4-fluorophenyl)ethyl]thiomorpholine-4-carboximidamide (PubChem CID 111025561) has the molecular formula C13H18FN3S and a molecular weight of 267.37 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)ethyl]thiomorpholine-4-carboximidamide
PubChem CID111025561
Molecular FormulaC13H18FN3S
Molecular Weight267.37 g/mol
Exact Mass267.12
IUPAC NameN'-[2-(4-fluorophenyl)ethyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CCc1ccc(F)cc1)N1CCSCC1
InChIInChI=1S/C13H18FN3S/c14-12-3-1-11(2-4-12)5-6-16-13(15)17-7-9-18-10-8-17/h1-4H,5-10H2,(H2,15,16)
InChIKeyRHOIOTXHGYIFIK-UHFFFAOYSA-N
XLogP1.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.73
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-(4-fluorophenyl)ethyl]thiomorpholine-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-(4-fluorophenyl)ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(4-fluorophenyl)ethyl]thiomorpholine-4-carboximidamide (CID 111025561) is N'-[2-(4-fluorophenyl)ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(4-fluorophenyl)ethyl]thiomorpholine-4-carboximidamide is N/C(=N\CCc1ccc(F)cc1)N1CCSCC1.
What is the InChIKey of N'-[2-(4-fluorophenyl)ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is RHOIOTXHGYIFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3S/c14-12-3-1-11(2-4-12)5-6-16-13(15)17-7-9-18-10-8-17/h1-4H,5-10H2,(H2,15,16).
What are the key properties of N'-[2-(4-fluorophenyl)ethyl]thiomorpholine-4-carboximidamide?
N'-[2-(4-fluorophenyl)ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 267.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111025561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).