1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine

C13H16N2OS — CID 80639955

IUPAC1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(SCc2ccco2)c(C)c1
InChIInChI=1S/C13H16N2OS/c1-10-6-11(7-14-2)8-15-13(10)17-9-12-4-3-5-16-12/h3-6,8,14H,7,9H2,1-2H3
InChIKeyGPDBJHAKFDYXKG-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.99
Rot. Bonds5

About 1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine

1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 80639955) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID80639955
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(SCc2ccco2)c(C)c1
InChIInChI=1S/C13H16N2OS/c1-10-6-11(7-14-2)8-15-13(10)17-9-12-4-3-5-16-12/h3-6,8,14H,7,9H2,1-2H3
InChIKeyGPDBJHAKFDYXKG-UHFFFAOYSA-N
XLogP2.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80650745
2-(furan-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658664
1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80650592
3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine
CID 102761283
4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103334041
N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 80639863
1-[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80651010
N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 102544556
1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80651000
1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80628313
N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 103290770
2-(furan-2-ylmethylsulfanyl)-4-methylpyridine
CID 91863097

Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine (CID 80639955) is 1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(SCc2ccco2)c(C)c1.
What is the InChIKey of 1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is GPDBJHAKFDYXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-6-11(7-14-2)8-15-13(10)17-9-12-4-3-5-16-12/h3-6,8,14H,7,9H2,1-2H3.
What are the key properties of 1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 248.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 80639955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).