6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide

C10H15N3OS — CID 43615811

IUPAC6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide
SMILESCCCCSc1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C10H15N3OS/c1-2-3-6-15-9-5-4-8(7-12-9)10(11)13-14/h4-5,7,14H,2-3,6H2,1H3,(H2,11,13)
InChIKeyLGPFNHNMZJRGQN-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.07
Rot. Bonds5

About 6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide

6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide (PubChem CID 43615811) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide
PubChem CID43615811
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide
SMILESCCCCSc1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C10H15N3OS/c1-2-3-6-15-9-5-4-8(7-12-9)10(11)13-14/h4-5,7,14H,2-3,6H2,1H3,(H2,11,13)
InChIKeyLGPFNHNMZJRGQN-UHFFFAOYSA-N
XLogP2.07
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide
CID 77112983
1-(6-pentylsulfanyl-3-pyridinyl)ethanone
CID 107750422
2-butylsulfanyl-5-methylpyridine
CID 135224790
N'-hydroxy-6-[(3-methylphenyl)methylsulfanyl]pyridine-3-carboximidamide
CID 76948880
2-(6-butylsulfanyl-3-pyridinyl)ethanamine
CID 80650800
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
6-octylsulfanylpyridin-3-ol
CID 25140722
6-octylsulfanylpyridin-3-amine
CID 43301414
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
(6-pentylsulfanyl-3-pyridinyl)methanol
CID 107762041
N'-hydroxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 60874848
N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
CID 43187657

Frequently Asked Questions

What is the IUPAC name of 6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide (CID 43615811) is 6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide is CCCCSc1ccc(/C(N)=N/O)cn1.
What is the InChIKey of 6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is LGPFNHNMZJRGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-3-6-15-9-5-4-8(7-12-9)10(11)13-14/h4-5,7,14H,2-3,6H2,1H3,(H2,11,13).
What are the key properties of 6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide?
6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 225.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 43615811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).