6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide

C12H17N3OS — CID 60884933

IUPAC6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1ccc(SC2CCCCC2)nc1
InChIInChI=1S/C12H17N3OS/c13-12(15-16)9-6-7-11(14-8-9)17-10-4-2-1-3-5-10/h6-8,10,16H,1-5H2,(H2,13,15)
InChIKeyXUPQNNISAJTMSA-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.60
Rot. Bonds3

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

6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide (PubChem CID 60884933) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide
PubChem CID60884933
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1ccc(SC2CCCCC2)nc1
InChIInChI=1S/C12H17N3OS/c13-12(15-16)9-6-7-11(14-8-9)17-10-4-2-1-3-5-10/h6-8,10,16H,1-5H2,(H2,13,15)
InChIKeyXUPQNNISAJTMSA-UHFFFAOYSA-N
XLogP2.60
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.60
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

6-cyclohexylsulfanylpyridine-3-carboximidamide
CID 60887032
ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate
CID 103613536
3-bromo-4-cyclohexylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 82799684
ethyl 6-cyclopentylsulfanylpyridine-3-carboxylate
CID 103613537
N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005127
N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005261
N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide
CID 77112983
N-(cyclopentylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005094
6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43615811
N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005031
N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24711133
(1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol
CID 124503041

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide (CID 60884933) is 6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide is N/C(=N\O)c1ccc(SC2CCCCC2)nc1.
What is the InChIKey of 6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is XUPQNNISAJTMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-12(15-16)9-6-7-11(14-8-9)17-10-4-2-1-3-5-10/h6-8,10,16H,1-5H2,(H2,13,15).
What are the key properties of 6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide?
6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 251.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 60884933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).