4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine

C12H20N2S — CID 102926370

IUPAC4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine
SMILESCNC(C)CCSc1cc(C)cc(C)n1
InChIInChI=1S/C12H20N2S/c1-9-7-11(3)14-12(8-9)15-6-5-10(2)13-4/h7-8,10,13H,5-6H2,1-4H3
InChIKeyONDITVHDDZWBBK-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.79
Rot. Bonds5

About 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine

4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine (PubChem CID 102926370) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine
PubChem CID102926370
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine
SMILESCNC(C)CCSc1cc(C)cc(C)n1
InChIInChI=1S/C12H20N2S/c1-9-7-11(3)14-12(8-9)15-6-5-10(2)13-4/h7-8,10,13H,5-6H2,1-4H3
InChIKeyONDITVHDDZWBBK-UHFFFAOYSA-N
XLogP2.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine
CID 102926365
1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine
CID 102926419
1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 102926755
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine
CID 102926475
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102924478
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine
CID 102926363
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine
CID 102925512
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)ethanamine
CID 102926336
methyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(propylamino)butanoate
CID 102925808
1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 102926585
4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide
CID 102926020

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine?
The IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine (CID 102926370) is 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine.
What is the SMILES notation for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine?
The canonical SMILES for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine is CNC(C)CCSc1cc(C)cc(C)n1.
What is the InChIKey of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine?
The InChIKey is ONDITVHDDZWBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-7-11(3)14-12(8-9)15-6-5-10(2)13-4/h7-8,10,13H,5-6H2,1-4H3.
What are the key properties of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine?
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine has a molecular weight of 224.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine is sourced from PubChem (CID 102926370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).