1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine

C15H17FN2S — CID 80651373

IUPAC1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ccccc2F)nc1
InChIInChI=1S/C15H17FN2S/c1-2-12(17)9-11-7-8-15(18-10-11)19-14-6-4-3-5-13(14)16/h3-8,10,12H,2,9,17H2,1H3
InChIKeyIWVVYRMSGRFEMU-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.65
Rot. Bonds5

About 1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine

1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine (PubChem CID 80651373) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
PubChem CID80651373
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ccccc2F)nc1
InChIInChI=1S/C15H17FN2S/c1-2-12(17)9-11-7-8-15(18-10-11)19-14-6-4-3-5-13(14)16/h3-8,10,12H,2,9,17H2,1H3
InChIKeyIWVVYRMSGRFEMU-UHFFFAOYSA-N
XLogP3.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine
CID 80650790
1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80650885
1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine
CID 107783670
1-[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80651549
1-[6-(1-methylpyrazol-4-yl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80645212
1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine
CID 80640002
1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine
CID 80651384
ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate
CID 103613543
1-[6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]butan-2-amine
CID 80644336
1-[6-(3-methoxypropylsulfanyl)-3-pyridinyl]butan-2-amine
CID 80644524
3-[[5-(2-aminobutyl)-2-pyridinyl]sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 80639454
1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine
CID 55238363

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine (CID 80651373) is 1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(Sc2ccccc2F)nc1.
What is the InChIKey of 1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine?
The InChIKey is IWVVYRMSGRFEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-2-12(17)9-11-7-8-15(18-10-11)19-14-6-4-3-5-13(14)16/h3-8,10,12H,2,9,17H2,1H3.
What are the key properties of 1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine?
1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine has a molecular weight of 276.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80651373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).