N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide

C18H31IN4OS — CID 109489578

IUPACN-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ncc(C)c(OC)c1C)N1CCSC(C)(C)C1.I
InChIInChI=1S/C18H30N4OS.HI/c1-7-19-17(22-8-9-24-18(4,5)12-22)21-11-15-14(3)16(23-6)13(2)10-20-15;/h10H,7-9,11-12H2,1-6H3,(H,19,21);1H
InChIKeyUMRSJMIYDCFQNX-UHFFFAOYSA-N
MW478.44 g/mol
LogP3.62
Rot. Bonds4

About N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide

N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109489578) has the molecular formula C18H31IN4OS and a molecular weight of 478.44 g/mol. Its IUPAC name is N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109489578
Molecular FormulaC18H31IN4OS
Molecular Weight478.44 g/mol
Exact Mass478.13
IUPAC NameN-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ncc(C)c(OC)c1C)N1CCSC(C)(C)C1.I
InChIInChI=1S/C18H30N4OS.HI/c1-7-19-17(22-8-9-24-18(4,5)12-22)21-11-15-14(3)16(23-6)13(2)10-20-15;/h10H,7-9,11-12H2,1-6H3,(H,19,21);1H
InChIKeyUMRSJMIYDCFQNX-UHFFFAOYSA-N
XLogP3.62
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 53.62
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109488385
N-ethyl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489284
N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111184459
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489426
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109489427
N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743244
N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111746687
N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489258
N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489462
N-ethyl-2,2-dimethyl-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489294
N-ethyl-2,2-dimethyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489184
methyl 5-[[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide
CID 109489588

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide (CID 109489578) is N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide is CCN/C(=N\Cc1ncc(C)c(OC)c1C)N1CCSC(C)(C)C1.I.
What is the InChIKey of N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is UMRSJMIYDCFQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS.HI/c1-7-19-17(22-8-9-24-18(4,5)12-22)21-11-15-14(3)16(23-6)13(2)10-20-15;/h10H,7-9,11-12H2,1-6H3,(H,19,21);1H.
What are the key properties of N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide?
N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 478.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109489578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).