N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine

C13H13FN2S — CID 80890333

IUPACN-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine
SMILESCCNc1cccc(Sc2cccc(F)c2)n1
InChIInChI=1S/C13H13FN2S/c1-2-15-12-7-4-8-13(16-12)17-11-6-3-5-10(14)9-11/h3-9H,2H2,1H3,(H,15,16)
InChIKeyBBTMXXZMZVIXPA-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.80
Rot. Bonds4

About N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine

N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine (PubChem CID 80890333) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine
PubChem CID80890333
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC NameN-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine
SMILESCCNc1cccc(Sc2cccc(F)c2)n1
InChIInChI=1S/C13H13FN2S/c1-2-15-12-7-4-8-13(16-12)17-11-6-3-5-10(14)9-11/h3-9H,2H2,1H3,(H,15,16)
InChIKeyBBTMXXZMZVIXPA-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
CID 80893303
N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66070463
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylpyridin-2-amine
CID 102926926
6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 80887480
4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80894947
N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 80888853
6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80892361
N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine
CID 80885405
N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995868
5-bromo-N-ethyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 114073920
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80771670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine?
The IUPAC name of N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine (CID 80890333) is N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine?
The canonical SMILES for N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine is CCNc1cccc(Sc2cccc(F)c2)n1.
What is the InChIKey of N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine?
The InChIKey is BBTMXXZMZVIXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c1-2-15-12-7-4-8-13(16-12)17-11-6-3-5-10(14)9-11/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine?
N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine has a molecular weight of 248.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine is sourced from PubChem (CID 80890333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).