N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine

C13H16N2OS — CID 80639863

IUPACN-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(SCc2ccco2)nc1
InChIInChI=1S/C13H16N2OS/c1-2-14-8-11-5-6-13(15-9-11)17-10-12-4-3-7-16-12/h3-7,9,14H,2,8,10H2,1H3
InChIKeyUOLRPJHFNBYTFW-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.08
Rot. Bonds6

About N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine

N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine (PubChem CID 80639863) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine
PubChem CID80639863
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(SCc2ccco2)nc1
InChIInChI=1S/C13H16N2OS/c1-2-14-8-11-5-6-13(15-9-11)17-10-12-4-3-7-16-12/h3-7,9,14H,2,8,10H2,1H3
InChIKeyUOLRPJHFNBYTFW-UHFFFAOYSA-N
XLogP3.08
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine (CID 80639863) is N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(SCc2ccco2)nc1.
What is the InChIKey of N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is UOLRPJHFNBYTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-14-8-11-5-6-13(15-9-11)17-10-12-4-3-7-16-12/h3-7,9,14H,2,8,10H2,1H3.
What are the key properties of N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine?
N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 248.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80639863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).