2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide

C11H17N3S — CID 107750066

IUPAC2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(SC(C)C(C)C)c1
InChIInChI=1S/C11H17N3S/c1-7(2)8(3)15-10-6-9(11(12)13)4-5-14-10/h4-8H,1-3H3,(H3,12,13)
InChIKeyLIMYYZMKRNWLOD-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.50
Rot. Bonds4

About 2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide

2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide (PubChem CID 107750066) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide
PubChem CID107750066
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(SC(C)C(C)C)c1
InChIInChI=1S/C11H17N3S/c1-7(2)8(3)15-10-6-9(11(12)13)4-5-14-10/h4-8H,1-3H3,(H3,12,13)
InChIKeyLIMYYZMKRNWLOD-UHFFFAOYSA-N
XLogP2.50
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107770746
2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide
CID 43519184
2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide
CID 43585311
4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide
CID 107770761
2-(2,6-dimethylphenoxy)pyridine-4-carboximidamide
CID 24710757
2-(hydroxymethyl)pyridine-4-carboximidamide
CID 157277304
4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 107750271
2-(trifluoromethyl)pyridine-4-carboximidamide
CID 119009176
2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide
CID 62352348
4-(3-methylbutan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 107750263
2-[3-(4-carbamimidoyl-2-pyridinyl)phenyl]pyridine-4-carboximidamide;dihydrochloride
CID 90664992
2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide
CID 79477749

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide?
The IUPAC name of 2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide (CID 107750066) is 2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide.
What is the SMILES notation for 2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide?
The canonical SMILES for 2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(SC(C)C(C)C)c1.
What is the InChIKey of 2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide?
The InChIKey is LIMYYZMKRNWLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-7(2)8(3)15-10-6-9(11(12)13)4-5-14-10/h4-8H,1-3H3,(H3,12,13).
What are the key properties of 2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide?
2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide has a molecular weight of 223.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide is sourced from PubChem (CID 107750066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).