(1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine

C12H12FN3S — CID 78943750

IUPAC(1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1Sc1cnccn1
InChIInChI=1S/C12H12FN3S/c1-8(14)10-6-9(13)2-3-11(10)17-12-7-15-4-5-16-12/h2-8H,14H2,1H3/t8-/m1/s1
InChIKeyMBJLHNLQWZEWGW-MRVPVSSYSA-N
MW249.31 g/mol
LogP2.79
Rot. Bonds3

About (1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine

(1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine (PubChem CID 78943750) has the molecular formula C12H12FN3S and a molecular weight of 249.31 g/mol. Its IUPAC name is (1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine
PubChem CID78943750
Molecular FormulaC12H12FN3S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name(1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1Sc1cnccn1
InChIInChI=1S/C12H12FN3S/c1-8(14)10-6-9(13)2-3-11(10)17-12-7-15-4-5-16-12/h2-8H,14H2,1H3/t8-/m1/s1
InChIKeyMBJLHNLQWZEWGW-MRVPVSSYSA-N
XLogP2.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943753
(1S)-1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943756
(1R)-1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 55247163
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308
(1S)-1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine
CID 106923107
N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 63809715
(1S)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 63380539
(1S)-1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
CID 78938846
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818342
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol
CID 63835439
1-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189296
(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol
CID 78951685

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine?
The IUPAC name of (1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine (CID 78943750) is (1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine?
The canonical SMILES for (1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine is C[C@@H](N)c1cc(F)ccc1Sc1cnccn1.
What is the InChIKey of (1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine?
The InChIKey is MBJLHNLQWZEWGW-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12FN3S/c1-8(14)10-6-9(13)2-3-11(10)17-12-7-15-4-5-16-12/h2-8H,14H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine?
(1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine has a molecular weight of 249.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine is sourced from PubChem (CID 78943750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).