1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine

C10H15FN2S — CID 105102526

IUPAC1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1cncc(F)c1
InChIInChI=1S/C10H15FN2S/c1-12-10(3-4-14-2)8-5-9(11)7-13-6-8/h5-7,10,12H,3-4H2,1-2H3
InChIKeyFDTPLIOKJQZJFT-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.23
Rot. Bonds5

About 1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine

1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 105102526) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine
PubChem CID105102526
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1cncc(F)c1
InChIInChI=1S/C10H15FN2S/c1-12-10(3-4-14-2)8-5-9(11)7-13-6-8/h5-7,10,12H,3-4H2,1-2H3
InChIKeyFDTPLIOKJQZJFT-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine
CID 105157890
1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105088240
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 65144532
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115721383
2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 54967680
2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105139329
1-(5-fluoro-3-pyridinyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115804514
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105190509
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105162282
2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 115805337
[1-(5-fluoro-3-pyridinyl)-3-methoxypropyl]hydrazine
CID 105206466
[2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105226545

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine (CID 105102526) is 1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine is CNC(CCSC)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is FDTPLIOKJQZJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-12-10(3-4-14-2)8-5-9(11)7-13-6-8/h5-7,10,12H,3-4H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine?
1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 105102526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).