N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide

C17H21N3OS — CID 111074015

IUPACN'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide
SMILESN/C(=N\CCOc1cccc2ccccc12)N1CCSCC1
InChIInChI=1S/C17H21N3OS/c18-17(20-9-12-22-13-10-20)19-8-11-21-16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2,(H2,18,19)
InChIKeyXMNXGDCRNOAYDT-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.58
Rot. Bonds4

About N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide

N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide (PubChem CID 111074015) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide
PubChem CID111074015
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide
SMILESN/C(=N\CCOc1cccc2ccccc12)N1CCSCC1
InChIInChI=1S/C17H21N3OS/c18-17(20-9-12-22-13-10-20)19-8-11-21-16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2,(H2,18,19)
InChIKeyXMNXGDCRNOAYDT-UHFFFAOYSA-N
XLogP2.58
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111028465
4-(2-naphthalen-1-yloxyethyl)thiomorpholine
CID 48568928
N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111076365
2-(3-naphthalen-1-yloxypropyl)guanidine
CID 95456191
naphthalen-1-yl thiomorpholine-4-carboxylate
CID 138533444
N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111076297
2-(8-naphthalen-1-yloxyoctyl)guanidine
CID 70387704
N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111030169
1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
CID 110030405
N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111811204
N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide
CID 120666030
N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
CID 111060631

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide (CID 111074015) is N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide is N/C(=N\CCOc1cccc2ccccc12)N1CCSCC1.
What is the InChIKey of N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide?
The InChIKey is XMNXGDCRNOAYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c18-17(20-9-12-22-13-10-20)19-8-11-21-16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2,(H2,18,19).
What are the key properties of N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide?
N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide has a molecular weight of 315.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111074015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).