1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine

C14H15FN2S — CID 80650592

IUPAC1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Sc2cccc(F)c2)c(C)c1
InChIInChI=1S/C14H15FN2S/c1-10-6-11(8-16-2)9-17-14(10)18-13-5-3-4-12(15)7-13/h3-7,9,16H,8H2,1-2H3
InChIKeySYFSLWWLOUWRLL-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.40
Rot. Bonds4

About 1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine

1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 80650592) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID80650592
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Sc2cccc(F)c2)c(C)c1
InChIInChI=1S/C14H15FN2S/c1-10-6-11(8-16-2)9-17-14(10)18-13-5-3-4-12(15)7-13/h3-7,9,16H,8H2,1-2H3
InChIKeySYFSLWWLOUWRLL-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80628313
1-[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80651010
1-[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80651000
N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80639728
4-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one
CID 80651151
N-[[6-(4-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 80628289
1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80639955
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
1-[2-bromo-4-(3-fluorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 114061115
2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639314
2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
CID 80651307

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine (CID 80650592) is 1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(Sc2cccc(F)c2)c(C)c1.
What is the InChIKey of 1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is SYFSLWWLOUWRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-10-6-11(8-16-2)9-17-14(10)18-13-5-3-4-12(15)7-13/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine?
1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 262.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 80650592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).