6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide

C11H17N3S — CID 107750112

IUPAC6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SCC(C)CC)nc1
InChIInChI=1S/C11H17N3S/c1-3-8(2)7-15-10-5-4-9(6-14-10)11(12)13/h4-6,8H,3,7H2,1-2H3,(H3,12,13)
InChIKeyAXBYGVGBYKYTNM-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.50
Rot. Bonds5

About 6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide

6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide (PubChem CID 107750112) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide
PubChem CID107750112
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SCC(C)CC)nc1
InChIInChI=1S/C11H17N3S/c1-3-8(2)7-15-10-5-4-9(6-14-10)11(12)13/h4-6,8H,3,7H2,1-2H3,(H3,12,13)
InChIKeyAXBYGVGBYKYTNM-UHFFFAOYSA-N
XLogP2.50
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[6-(2-methylbutylsulfanyl)-3-pyridinyl]ethanone
CID 107750473
3-chloro-4-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107750100
6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide
CID 112660156
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
CID 104603204
6-(propan-2-ylamino)pyridine-3-carboximidamide
CID 62199546
2-bromo-6-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107750121
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 113298644
6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 60875812
6-cyclohexylsulfanylpyridine-3-carboximidamide
CID 60887032
ethane;2-(2-methylbutylsulfanyl)pyridine
CID 90957639
6-(methylaminomethyl)pyridine-3-carboximidamide
CID 145206932
ethyl 6-(3-methoxy-2-methyl-3-oxopropyl)sulfanylpyridine-3-carboxylate
CID 66116248

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide?
The IUPAC name of 6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide (CID 107750112) is 6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide?
The canonical SMILES for 6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(SCC(C)CC)nc1.
What is the InChIKey of 6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide?
The InChIKey is AXBYGVGBYKYTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-3-8(2)7-15-10-5-4-9(6-14-10)11(12)13/h4-6,8H,3,7H2,1-2H3,(H3,12,13).
What are the key properties of 6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide?
6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide has a molecular weight of 223.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide is sourced from PubChem (CID 107750112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).