1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine

C14H15FN2S — CID 112585182

IUPAC1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(Sc2cccc(F)c2)cn1
InChIInChI=1S/C14H15FN2S/c1-2-13(16)14-7-6-12(9-17-14)18-11-5-3-4-10(15)8-11/h3-9,13H,2,16H2,1H3
InChIKeyMAUVHKCNOCFRIB-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.78
Rot. Bonds4

About 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine

1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine (PubChem CID 112585182) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
PubChem CID112585182
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(Sc2cccc(F)c2)cn1
InChIInChI=1S/C14H15FN2S/c1-2-13(16)14-7-6-12(9-17-14)18-11-5-3-4-10(15)8-11/h3-9,13H,2,16H2,1H3
InChIKeyMAUVHKCNOCFRIB-UHFFFAOYSA-N
XLogP3.78
TPSA38.91 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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355234
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586568
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355221
1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585010
(1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine
CID 113247636
(1R)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 113355226
(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938124
(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938100
1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585012
(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938208
1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine
CID 112585115
(1S)-1-(5-propan-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938158

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine (CID 112585182) is 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(Sc2cccc(F)c2)cn1.
What is the InChIKey of 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The InChIKey is MAUVHKCNOCFRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-2-13(16)14-7-6-12(9-17-14)18-11-5-3-4-10(15)8-11/h3-9,13H,2,16H2,1H3.
What are the key properties of 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine?
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 112585182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).