N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide

C9H13N3OS — CID 136990967

IUPACN'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide
SMILESCC(C)Sc1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C9H13N3OS/c1-6(2)14-7-3-4-8(11-5-7)9(10)12-13/h3-6,13H,1-2H3,(H2,10,12)
InChIKeyGAMFNUYRPTVHGH-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.68
Rot. Bonds3

About N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide

N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide (PubChem CID 136990967) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide
PubChem CID136990967
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide
SMILESCC(C)Sc1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C9H13N3OS/c1-6(2)14-7-3-4-8(11-5-7)9(10)12-13/h3-6,13H,1-2H3,(H2,10,12)
InChIKeyGAMFNUYRPTVHGH-UHFFFAOYSA-N
XLogP1.68
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.68
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

N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide
CID 136990925
5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide
CID 136990975
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]boronic acid
CID 168994832
N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
CID 136920625
N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide
CID 137095860
N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 135949149
N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide
CID 136990738
5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136967271
N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide
CID 172920316
5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990581
(1S)-1-(5-propan-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938158

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide (CID 136990967) is N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide is CC(C)Sc1ccc(/C(N)=N/O)nc1.
What is the InChIKey of N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide?
The InChIKey is GAMFNUYRPTVHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6(2)14-7-3-4-8(11-5-7)9(10)12-13/h3-6,13H,1-2H3,(H2,10,12).
What are the key properties of N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide?
N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide has a molecular weight of 211.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide is sourced from PubChem (CID 136990967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).