2-(2-methylsulfanyl-3-pyridinyl)ethanamine

C8H12N2S — CID 84765480

IUPAC2-(2-methylsulfanyl-3-pyridinyl)ethanamine
SMILESCSc1ncccc1CCN
InChIInChI=1S/C8H12N2S/c1-11-8-7(4-5-9)3-2-6-10-8/h2-3,6H,4-5,9H2,1H3
InChIKeyGQRVBYYMKXRAHG-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.30
Rot. Bonds3

About 2-(2-methylsulfanyl-3-pyridinyl)ethanamine

2-(2-methylsulfanyl-3-pyridinyl)ethanamine (PubChem CID 84765480) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-(2-methylsulfanyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylsulfanyl-3-pyridinyl)ethanamine
PubChem CID84765480
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-(2-methylsulfanyl-3-pyridinyl)ethanamine
SMILESCSc1ncccc1CCN
InChIInChI=1S/C8H12N2S/c1-11-8-7(4-5-9)3-2-6-10-8/h2-3,6H,4-5,9H2,1H3
InChIKeyGQRVBYYMKXRAHG-UHFFFAOYSA-N
XLogP1.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-3-propylpyridine
CID 142155621
2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine
CID 114057606
2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine
CID 114057620
2-[2-[(3-bromo-2-pyridinyl)sulfanyl]-3-fluorophenyl]ethanamine
CID 114070487
3-(2-aminoethyl)pyridine-2-carbonitrile
CID 83872418
2-[2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]ethanamine
CID 114057582
[2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine
CID 107752122
2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine
CID 114057573
2-[4-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]ethanamine
CID 114866444
[2-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanamine
CID 107752020
2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine
CID 82504291
2-[2-(disulfanyl)-3-pyridinyl]ethanol
CID 155663463

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(2-methylsulfanyl-3-pyridinyl)ethanamine (CID 84765480) is 2-(2-methylsulfanyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2-methylsulfanyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(2-methylsulfanyl-3-pyridinyl)ethanamine is CSc1ncccc1CCN.
What is the InChIKey of 2-(2-methylsulfanyl-3-pyridinyl)ethanamine?
The InChIKey is GQRVBYYMKXRAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-11-8-7(4-5-9)3-2-6-10-8/h2-3,6H,4-5,9H2,1H3.
What are the key properties of 2-(2-methylsulfanyl-3-pyridinyl)ethanamine?
2-(2-methylsulfanyl-3-pyridinyl)ethanamine has a molecular weight of 168.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 84765480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).