N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide

C13H26N4OS — CID 119120871

IUPACN'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide
SMILESCC1(C)CN(CC/N=C(\N)N2CCSCC2)CCO1
InChIInChI=1S/C13H26N4OS/c1-13(2)11-16(5-8-18-13)4-3-15-12(14)17-6-9-19-10-7-17/h3-11H2,1-2H3,(H2,14,15)
InChIKeyURZRMZRKOGMTKR-UHFFFAOYSA-N
MW286.44 g/mol
LogP0.46
Rot. Bonds3

About N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide

N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide (PubChem CID 119120871) has the molecular formula C13H26N4OS and a molecular weight of 286.44 g/mol. Its IUPAC name is N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide
PubChem CID119120871
Molecular FormulaC13H26N4OS
Molecular Weight286.44 g/mol
Exact Mass286.18
IUPAC NameN'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide
SMILESCC1(C)CN(CC/N=C(\N)N2CCSCC2)CCO1
InChIInChI=1S/C13H26N4OS/c1-13(2)11-16(5-8-18-13)4-3-15-12(14)17-6-9-19-10-7-17/h3-11H2,1-2H3,(H2,14,15)
InChIKeyURZRMZRKOGMTKR-UHFFFAOYSA-N
XLogP0.46
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111024484
N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110033020
2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine
CID 137136827
N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide
CID 111062149
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
4-(2,2-dimethylmorpholin-4-yl)butan-1-amine
CID 43592480
N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide
CID 122095647
N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111810423
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887
4-(2,2-dimethylmorpholin-4-yl)butan-1-ol
CID 43593140
3-(2,2-dimethylmorpholin-4-yl)propan-1-ol;ethane
CID 162683965
3-(2,2-dimethylmorpholin-4-yl)propan-1-ol;yttrium
CID 162684002

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide (CID 119120871) is N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide is CC1(C)CN(CC/N=C(\N)N2CCSCC2)CCO1.
What is the InChIKey of N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is URZRMZRKOGMTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4OS/c1-13(2)11-16(5-8-18-13)4-3-15-12(14)17-6-9-19-10-7-17/h3-11H2,1-2H3,(H2,14,15).
What are the key properties of N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide?
N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 286.44 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 119120871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).