N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine

C14H16N2S — CID 66346653

IUPACN-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine
SMILESCNCc1cccc(SCc2cccnc2)c1
InChIInChI=1S/C14H16N2S/c1-15-9-12-4-2-6-14(8-12)17-11-13-5-3-7-16-10-13/h2-8,10,15H,9,11H2,1H3
InChIKeyRNFYWUDVZXFICM-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.09
Rot. Bonds5

About N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine

N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine (PubChem CID 66346653) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine
PubChem CID66346653
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC NameN-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine
SMILESCNCc1cccc(SCc2cccnc2)c1
InChIInChI=1S/C14H16N2S/c1-15-9-12-4-2-6-14(8-12)17-11-13-5-3-7-16-10-13/h2-8,10,15H,9,11H2,1H3
InChIKeyRNFYWUDVZXFICM-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 114084753
N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine
CID 66353702
1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 66356452
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
3-(phenylsulfanylmethyl)pyridine;hydrochloride
CID 71374325
2-[3-(methylaminomethyl)phenyl]sulfanylethanol
CID 66348986
N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine
CID 66356441
1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 106030794
1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 66347822
N-methyl-1-[3-(3-methylbutylsulfanyl)phenyl]methanamine
CID 66347042
1-(3-but-2-enylsulfanylphenyl)-N-methylmethanamine
CID 77126312
N-[[3-[(5-bromo-3-pyridinyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 104811507

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine (CID 66346653) is N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine is CNCc1cccc(SCc2cccnc2)c1.
What is the InChIKey of N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine?
The InChIKey is RNFYWUDVZXFICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-15-9-12-4-2-6-14(8-12)17-11-13-5-3-7-16-10-13/h2-8,10,15H,9,11H2,1H3.
What are the key properties of N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine?
N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine has a molecular weight of 244.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 66346653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).