N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide

C13H27N3OS — CID 120661776

IUPACN'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide
SMILESCCC(CC)(C/N=C(\N)N1CCOC(C)C1)SC
InChIInChI=1S/C13H27N3OS/c1-5-13(6-2,18-4)10-15-12(14)16-7-8-17-11(3)9-16/h11H,5-10H2,1-4H3,(H2,14,15)
InChIKeyBEJAKEOQZYMNFC-UHFFFAOYSA-N
MW273.45 g/mol
LogP1.94
Rot. Bonds5

About N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide

N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide (PubChem CID 120661776) has the molecular formula C13H27N3OS and a molecular weight of 273.45 g/mol. Its IUPAC name is N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide
PubChem CID120661776
Molecular FormulaC13H27N3OS
Molecular Weight273.45 g/mol
Exact Mass273.19
IUPAC NameN'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide
SMILESCCC(CC)(C/N=C(\N)N1CCOC(C)C1)SC
InChIInChI=1S/C13H27N3OS/c1-5-13(6-2,18-4)10-15-12(14)16-7-8-17-11(3)9-16/h11H,5-10H2,1-4H3,(H2,14,15)
InChIKeyBEJAKEOQZYMNFC-UHFFFAOYSA-N
XLogP1.94
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 51.94
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'}

Analyze N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-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

Related Compounds

N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
CID 120661722
2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 120661073
N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide
CID 119148422
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622
2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
CID 120662006
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide
CID 120663210
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-ethyl-N-methylacetamide;hydroiodide
CID 120662161
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 120661115

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide (CID 120661776) is N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide is CCC(CC)(C/N=C(\N)N1CCOC(C)C1)SC.
What is the InChIKey of N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide?
The InChIKey is BEJAKEOQZYMNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3OS/c1-5-13(6-2,18-4)10-15-12(14)16-7-8-17-11(3)9-16/h11H,5-10H2,1-4H3,(H2,14,15).
What are the key properties of N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide?
N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide has a molecular weight of 273.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).