N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

C14H26IN5S — CID 109485519

IUPACN,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccnn1C)N1CCSC(CC)C1.I
InChIInChI=1S/C14H25N5S.HI/c1-4-13-11-19(8-9-20-13)14(15-5-2)16-10-12-6-7-17-18(12)3;/h6-7,13H,4-5,8-11H2,1-3H3,(H,15,16);1H
InChIKeyHLMNBUVUQDLKJF-UHFFFAOYSA-N
MW423.37 g/mol
LogP2.33
Rot. Bonds4

About N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109485519) has the molecular formula C14H26IN5S and a molecular weight of 423.37 g/mol. Its IUPAC name is N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109485519
Molecular FormulaC14H26IN5S
Molecular Weight423.37 g/mol
Exact Mass423.10
IUPAC NameN,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccnn1C)N1CCSC(CC)C1.I
InChIInChI=1S/C14H25N5S.HI/c1-4-13-11-19(8-9-20-13)14(15-5-2)16-10-12-6-7-17-18(12)3;/h6-7,13H,4-5,8-11H2,1-3H3,(H,15,16);1H
InChIKeyHLMNBUVUQDLKJF-UHFFFAOYSA-N
XLogP2.33
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 52.33
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-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111153085
2-ethyl-N'-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109486234
N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109485860
N'-benzyl-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486214
N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486841
N,2-diethyl-N'-[[2-(hydroxymethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485249
N,2-diethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109486433
N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485307
ethyl 1-[N-ethyl-N'-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994168
4-[[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]methyl]benzamide;hydroiodide
CID 109485533
N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486994
N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 109484666

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 109485519) is N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is CCN/C(=N\Cc1ccnn1C)N1CCSC(CC)C1.I.
What is the InChIKey of N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is HLMNBUVUQDLKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S.HI/c1-4-13-11-19(8-9-20-13)14(15-5-2)16-10-12-6-7-17-18(12)3;/h6-7,13H,4-5,8-11H2,1-3H3,(H,15,16);1H.
What are the key properties of N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 423.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109485519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).