6-ethylsulfanyl-2-methylpyridine-3-carboximidamide

C9H13N3S — CID 130560250

IUPAC6-ethylsulfanyl-2-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SCC)nc1C
InChIInChI=1S/C9H13N3S/c1-3-13-8-5-4-7(9(10)11)6(2)12-8/h4-5H,3H2,1-2H3,(H3,10,11)
InChIKeyJDFZMDSUXRPIDM-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.79
Rot. Bonds3

About 6-ethylsulfanyl-2-methylpyridine-3-carboximidamide

6-ethylsulfanyl-2-methylpyridine-3-carboximidamide (PubChem CID 130560250) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 6-ethylsulfanyl-2-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name6-ethylsulfanyl-2-methylpyridine-3-carboximidamide
PubChem CID130560250
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name6-ethylsulfanyl-2-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SCC)nc1C
InChIInChI=1S/C9H13N3S/c1-3-13-8-5-4-7(9(10)11)6(2)12-8/h4-5H,3H2,1-2H3,(H3,10,11)
InChIKeyJDFZMDSUXRPIDM-UHFFFAOYSA-N
XLogP1.79
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.79
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

2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide
CID 130560252
6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide
CID 82452729
6-(2,4-dimethylphenyl)-2-methylpyridine-3-carboximidamide
CID 82452571
2-ethylsulfanyl-4-methoxybenzenecarboximidamide
CID 81303342
6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide
CID 82453003
4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
CID 65043483
4-ethylsulfanylpyridine-2-carboximidamide
CID 62926350
6-(aminomethyl)-2-methylpyridine-3-carboxamide;hydrochloride
CID 130677919
6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide
CID 107750112
4-chloro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 66104275
2-hydroxy-4-iodo-3-methylbenzenecarboximidamide
CID 141275525
2-bromo-4-propylsulfanylbenzenecarboximidamide
CID 107279933

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-2-methylpyridine-3-carboximidamide?
The IUPAC name of 6-ethylsulfanyl-2-methylpyridine-3-carboximidamide (CID 130560250) is 6-ethylsulfanyl-2-methylpyridine-3-carboximidamide.
What is the SMILES notation for 6-ethylsulfanyl-2-methylpyridine-3-carboximidamide?
The canonical SMILES for 6-ethylsulfanyl-2-methylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(SCC)nc1C.
What is the InChIKey of 6-ethylsulfanyl-2-methylpyridine-3-carboximidamide?
The InChIKey is JDFZMDSUXRPIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-3-13-8-5-4-7(9(10)11)6(2)12-8/h4-5H,3H2,1-2H3,(H3,10,11).
What are the key properties of 6-ethylsulfanyl-2-methylpyridine-3-carboximidamide?
6-ethylsulfanyl-2-methylpyridine-3-carboximidamide has a molecular weight of 195.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-2-methylpyridine-3-carboximidamide is sourced from PubChem (CID 130560250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).