(1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C10H13F3N2S — CID 104891295

IUPAC(1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESC[C@@H](NCCSC(F)(F)F)c1cccnc1
InChIInChI=1S/C10H13F3N2S/c1-8(9-3-2-4-14-7-9)15-5-6-16-10(11,12)13/h2-4,7-8,15H,5-6H2,1H3/t8-/m1/s1
InChIKeyNMUCPRLLEBUWDZ-MRVPVSSYSA-N
MW250.29 g/mol
LogP2.99
Rot. Bonds5

About (1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

(1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 104891295) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is (1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID104891295
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name(1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESC[C@@H](NCCSC(F)(F)F)c1cccnc1
InChIInChI=1S/C10H13F3N2S/c1-8(9-3-2-4-14-7-9)15-5-6-16-10(11,12)13/h2-4,7-8,15H,5-6H2,1H3/t8-/m1/s1
InChIKeyNMUCPRLLEBUWDZ-MRVPVSSYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
CID 24694524
1-(4-tert-butylphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426895
2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol
CID 81405139
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
N-[(1S)-1-pyridin-3-ylethyl]but-3-en-1-amine
CID 81404679
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
1-[4-(difluoromethoxy)phenyl]-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 103778139
N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide
CID 102676086
3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile
CID 103367453
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 104891295) is (1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is C[C@@H](NCCSC(F)(F)F)c1cccnc1.
What is the InChIKey of (1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is NMUCPRLLEBUWDZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c1-8(9-3-2-4-14-7-9)15-5-6-16-10(11,12)13/h2-4,7-8,15H,5-6H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
(1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 250.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 104891295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).