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

C12H19N3S — CID 107750271

IUPAC4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CSC(C)C(C)C)ccn1
InChIInChI=1S/C12H19N3S/c1-8(2)9(3)16-7-10-4-5-15-11(6-10)12(13)14/h4-6,8-9H,7H2,1-3H3,(H3,13,14)
InChIKeyASRMDIPPEXLEMB-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.64
Rot. Bonds5

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

4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide (PubChem CID 107750271) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide
PubChem CID107750271
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CSC(C)C(C)C)ccn1
InChIInChI=1S/C12H19N3S/c1-8(2)9(3)16-7-10-4-5-15-11(6-10)12(13)14/h4-6,8-9H,7H2,1-3H3,(H3,13,14)
InChIKeyASRMDIPPEXLEMB-UHFFFAOYSA-N
XLogP2.64
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.64
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

4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide
CID 63881662
4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide
CID 63881838
4-(3-methylbutan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 107750263
4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 63881655
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 63883004
4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide
CID 107770761
N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine
CID 107756511
4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882440
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
4-ethylsulfanylpyridine-2-carboximidamide
CID 62926350

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide?
The IUPAC name of 4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide (CID 107750271) is 4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide?
The canonical SMILES for 4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CSC(C)C(C)C)ccn1.
What is the InChIKey of 4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide?
The InChIKey is ASRMDIPPEXLEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-8(2)9(3)16-7-10-4-5-15-11(6-10)12(13)14/h4-6,8-9H,7H2,1-3H3,(H3,13,14).
What are the key properties of 4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide?
4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide has a molecular weight of 237.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 107750271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).