1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine

C12H20N2S — CID 105169001

IUPAC1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine
SMILESCCc1ccc(CC(N)CCSC)nc1
InChIInChI=1S/C12H20N2S/c1-3-10-4-5-12(14-9-10)8-11(13)6-7-15-2/h4-5,9,11H,3,6-8,13H2,1-2H3
InChIKeySYDLXAUGQNRMSP-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.27
Rot. Bonds6

About 1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine

1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine (PubChem CID 105169001) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine
PubChem CID105169001
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine
SMILESCCc1ccc(CC(N)CCSC)nc1
InChIInChI=1S/C12H20N2S/c1-3-10-4-5-12(14-9-10)8-11(13)6-7-15-2/h4-5,9,11H,3,6-8,13H2,1-2H3
InChIKeySYDLXAUGQNRMSP-UHFFFAOYSA-N
XLogP2.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-amine
CID 79748258
1-(5-ethyl-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 79748287
1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 79748691
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
2-(5-ethyl-2-pyridinyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105014663
1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol
CID 79745603
1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 115414992
1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine
CID 77096922
1-(2,6-dimethyl-4-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 107503102
1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol
CID 105115083
1-(3,5-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79747813
1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 105168831

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine (CID 105169001) is 1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine is CCc1ccc(CC(N)CCSC)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine?
The InChIKey is SYDLXAUGQNRMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-10-4-5-12(14-9-10)8-11(13)6-7-15-2/h4-5,9,11H,3,6-8,13H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine?
1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine has a molecular weight of 224.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 105169001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).