N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide

C14H21N3OS — CID 111043624

IUPACN'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide
SMILESCOC(C/N=C(\N)N1CCSCC1)c1ccccc1
InChIInChI=1S/C14H21N3OS/c1-18-13(12-5-3-2-4-6-12)11-16-14(15)17-7-9-19-10-8-17/h2-6,13H,7-11H2,1H3,(H2,15,16)
InChIKeyNJPZFFDJFOEFFD-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.74
Rot. Bonds4

About N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide

N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide (PubChem CID 111043624) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide
PubChem CID111043624
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide
SMILESCOC(C/N=C(\N)N1CCSCC1)c1ccccc1
InChIInChI=1S/C14H21N3OS/c1-18-13(12-5-3-2-4-6-12)11-16-14(15)17-7-9-19-10-8-17/h2-6,13H,7-11H2,1H3,(H2,15,16)
InChIKeyNJPZFFDJFOEFFD-UHFFFAOYSA-N
XLogP1.74
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111043639
N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111029283
N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide
CID 111027734
N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111028465
N'-[2-(4-fluorophenyl)-2-methoxyethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111498006
N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111820650
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111037535
N'-(2,2-dimethyl-3-phenylpropyl)thiomorpholine-4-carboximidamide
CID 111815528
N'-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111027333
N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide
CID 90949805
2-(2-methoxy-2-phenylethyl)-1-phenylguanidine
CID 110918046
N'-[3-(N-ethylanilino)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111035180

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide (CID 111043624) is N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide is COC(C/N=C(\N)N1CCSCC1)c1ccccc1.
What is the InChIKey of N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide?
The InChIKey is NJPZFFDJFOEFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-18-13(12-5-3-2-4-6-12)11-16-14(15)17-7-9-19-10-8-17/h2-6,13H,7-11H2,1H3,(H2,15,16).
What are the key properties of N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide?
N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide has a molecular weight of 279.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111043624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).