(1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine

C9H14N2S — CID 124502236

IUPAC(1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine
SMILESCSc1ccc([C@H](C)N)c(C)n1
InChIInChI=1S/C9H14N2S/c1-6(10)8-4-5-9(12-3)11-7(8)2/h4-6H,10H2,1-3H3/t6-/m0/s1
InChIKeyCWWBLJJIEJEOLR-LURJTMIESA-N
MW182.29 g/mol
LogP2.13
Rot. Bonds2

About (1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine

(1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine (PubChem CID 124502236) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is (1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine
PubChem CID124502236
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name(1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine
SMILESCSc1ccc([C@H](C)N)c(C)n1
InChIInChI=1S/C9H14N2S/c1-6(10)8-4-5-9(12-3)11-7(8)2/h4-6H,10H2,1-3H3/t6-/m0/s1
InChIKeyCWWBLJJIEJEOLR-LURJTMIESA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine (CID 124502236) is (1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine is CSc1ccc([C@H](C)N)c(C)n1.
What is the InChIKey of (1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine?
The InChIKey is CWWBLJJIEJEOLR-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N2S/c1-6(10)8-4-5-9(12-3)11-7(8)2/h4-6H,10H2,1-3H3/t6-/m0/s1.
What are the key properties of (1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine?
(1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine has a molecular weight of 182.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methyl-6-methylsulfanyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 124502236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).