N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide

C7H9N3OS — CID 76889740

IUPACN'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide
SMILESCSc1ncccc1C(N)=NO
InChIInChI=1S/C7H9N3OS/c1-12-7-5(6(8)10-11)3-2-4-9-7/h2-4,11H,1H3,(H2,8,10)
InChIKeyJGNWWBNEAGHCNP-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.90
Rot. Bonds2

About N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide

N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide (PubChem CID 76889740) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide
PubChem CID76889740
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC NameN'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide
SMILESCSc1ncccc1C(N)=NO
InChIInChI=1S/C7H9N3OS/c1-12-7-5(6(8)10-11)3-2-4-9-7/h2-4,11H,1H3,(H2,8,10)
InChIKeyJGNWWBNEAGHCNP-UHFFFAOYSA-N
XLogP0.90
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.90
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43187799
2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43167561
N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 43187791
N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide
CID 43187698
N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 43187786
N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide
CID 76916444
3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide
CID 175897067
3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739877
N'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide
CID 24705092
N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 24711030
N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide
CID 137244743
N'-hydroxy-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 107109864

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide (CID 76889740) is N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide is CSc1ncccc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide?
The InChIKey is JGNWWBNEAGHCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-12-7-5(6(8)10-11)3-2-4-9-7/h2-4,11H,1H3,(H2,8,10).
What are the key properties of N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide?
N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide has a molecular weight of 183.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide is sourced from PubChem (CID 76889740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).