N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

C12H19IN4S — CID 111062706

IUPACN'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCc1cccc(C/N=C(\N)N2CCSCC2)n1.I
InChIInChI=1S/C12H18N4S.HI/c1-10-3-2-4-11(15-10)9-14-12(13)16-5-7-17-8-6-16;/h2-4H,5-9H2,1H3,(H2,13,14);1H
InChIKeyOOPNMXUPKSFSCR-UHFFFAOYSA-N
MW378.28 g/mol
LogP1.87
Rot. Bonds2

About N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111062706) has the molecular formula C12H19IN4S and a molecular weight of 378.28 g/mol. Its IUPAC name is N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111062706
Molecular FormulaC12H19IN4S
Molecular Weight378.28 g/mol
Exact Mass378.04
IUPAC NameN'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCc1cccc(C/N=C(\N)N2CCSCC2)n1.I
InChIInChI=1S/C12H18N4S.HI/c1-10-3-2-4-11(15-10)9-14-12(13)16-5-7-17-8-6-16;/h2-4H,5-9H2,1H3,(H2,13,14);1H
InChIKeyOOPNMXUPKSFSCR-UHFFFAOYSA-N
XLogP1.87
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111813933
2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 62360074
N'-[(2-ethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111817688
N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide
CID 119119846
N'-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboximidamide
CID 63175747
N'-[(4-methylsulfanylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 119120285
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide
CID 111078321
2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide
CID 63175746
N'-[(2,4-dimethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111051638
N'-[(4-hydroxy-3,5-dimethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111067942
N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 119121295
N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119119247

Frequently Asked Questions

What is the IUPAC name of N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111062706) is N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is Cc1cccc(C/N=C(\N)N2CCSCC2)n1.I.
What is the InChIKey of N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is OOPNMXUPKSFSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S.HI/c1-10-3-2-4-11(15-10)9-14-12(13)16-5-7-17-8-6-16;/h2-4H,5-9H2,1H3,(H2,13,14);1H.
What are the key properties of N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 378.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111062706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).