N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide

C15H25N3O2S — CID 109488193

IUPACN-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CC(O)c1ccco1)N1CCSC(C)(C)C1
InChIInChI=1S/C15H25N3O2S/c1-4-16-14(18-7-9-21-15(2,3)11-18)17-10-12(19)13-6-5-8-20-13/h5-6,8,12,19H,4,7,9-11H2,1-3H3,(H,16,17)
InChIKeyXZLUNDJLIRCAQU-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.11
Rot. Bonds4

About N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide

N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide (PubChem CID 109488193) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide
PubChem CID109488193
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CC(O)c1ccco1)N1CCSC(C)(C)C1
InChIInChI=1S/C15H25N3O2S/c1-4-16-14(18-7-9-21-15(2,3)11-18)17-10-12(19)13-6-5-8-20-13/h5-6,8,12,19H,4,7,9-11H2,1-3H3,(H,16,17)
InChIKeyXZLUNDJLIRCAQU-UHFFFAOYSA-N
XLogP2.11
TPSA61.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
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-ethyl-N'-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109489867
N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485431
2-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 109489364
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960934
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111994774
N-ethyl-2,2-dimethyl-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489294
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide
CID 111367697
N'-butyl-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109489605
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109487535
4-(2,3-dimethylphenyl)-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboximidamide;hydroiodide
CID 111238470
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732934
N'-[2-[cyclopropyl(methyl)amino]propyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489344

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide (CID 109488193) is N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide is CCN/C(=N\CC(O)c1ccco1)N1CCSC(C)(C)C1.
What is the InChIKey of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide?
The InChIKey is XZLUNDJLIRCAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-16-14(18-7-9-21-15(2,3)11-18)17-10-12(19)13-6-5-8-20-13/h5-6,8,12,19H,4,7,9-11H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide?
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide has a molecular weight of 311.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109488193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).