N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide

C13H24IN5S — CID 109488372

IUPACN',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCCn1cccn1)N1CCSC(C)(C)C1.I
InChIInChI=1S/C13H23N5S.HI/c1-13(2)11-17(9-10-19-13)12(14-3)15-6-8-18-7-4-5-16-18;/h4-5,7H,6,8-11H2,1-3H3,(H,14,15);1H
InChIKeyMNGXZMKKVCSOFQ-UHFFFAOYSA-N
MW409.34 g/mol
LogP1.90
Rot. Bonds3

About N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide

N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109488372) has the molecular formula C13H24IN5S and a molecular weight of 409.34 g/mol. Its IUPAC name is N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109488372
Molecular FormulaC13H24IN5S
Molecular Weight409.34 g/mol
Exact Mass409.08
IUPAC NameN',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCCn1cccn1)N1CCSC(C)(C)C1.I
InChIInChI=1S/C13H23N5S.HI/c1-13(2)11-17(9-10-19-13)12(14-3)15-6-8-18-7-4-5-16-18;/h4-5,7H,6,8-11H2,1-3H3,(H,14,15);1H
InChIKeyMNGXZMKKVCSOFQ-UHFFFAOYSA-N
XLogP1.90
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 51.90
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'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110934488
N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
CID 110934489
N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487450
N',3,3-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111739345
2-ethyl-N'-methyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide
CID 109485606
N-(3-fluoropropyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489790
N-(2-cyclopropylethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488453
N'-methyl-N-(3-pyrazol-1-ylpropyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744761
N',2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487359
N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488402
N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109488997
N-[4-(4-ethylpiperazin-1-yl)butyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109488574

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 109488372) is N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide is C/N=C(\NCCn1cccn1)N1CCSC(C)(C)C1.I.
What is the InChIKey of N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is MNGXZMKKVCSOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S.HI/c1-13(2)11-17(9-10-19-13)12(14-3)15-6-8-18-7-4-5-16-18;/h4-5,7H,6,8-11H2,1-3H3,(H,14,15);1H.
What are the key properties of N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 409.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109488372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).