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

C15H20FN3S — CID 111068160

IUPACN'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CC1(c2ccc(F)cc2)CC1)N1CCSCC1
InChIInChI=1S/C15H20FN3S/c16-13-3-1-12(2-4-13)15(5-6-15)11-18-14(17)19-7-9-20-10-8-19/h1-4H,5-11H2,(H2,17,18)
InChIKeyLWWOBEGDCPLSDI-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.22
Rot. Bonds3

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

N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide (PubChem CID 111068160) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
PubChem CID111068160
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC NameN'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CC1(c2ccc(F)cc2)CC1)N1CCSCC1
InChIInChI=1S/C15H20FN3S/c16-13-3-1-12(2-4-13)15(5-6-15)11-18-14(17)19-7-9-20-10-8-19/h1-4H,5-11H2,(H2,17,18)
InChIKeyLWWOBEGDCPLSDI-UHFFFAOYSA-N
XLogP2.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.22
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'-[(1-phenylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
CID 111038851
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111091599
N'-[[1-(2-bromophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 111818716
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582
N'-[[1-(3-methoxyphenyl)cyclopentyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807341
N'-[2-(2,4-difluorophenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111801624
N'-[[1-(2-methoxyphenyl)cyclopentyl]methyl]thiomorpholine-4-carboximidamide
CID 111078997
N'-[(2,5-difluorophenyl)methyl]thiomorpholine-4-carboximidamide
CID 111801004
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 120973293
N'-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]thiomorpholine-4-carboximidamide
CID 111072399
4-(4-fluorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
CID 120973301

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide (CID 111068160) is N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide is N/C(=N\CC1(c2ccc(F)cc2)CC1)N1CCSCC1.
What is the InChIKey of N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide?
The InChIKey is LWWOBEGDCPLSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c16-13-3-1-12(2-4-13)15(5-6-15)11-18-14(17)19-7-9-20-10-8-19/h1-4H,5-11H2,(H2,17,18).
What are the key properties of N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide?
N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide has a molecular weight of 293.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111068160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).