(2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide

C9H10F3N3OS — CID 95982119

IUPAC(2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](Sc1cnccn1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H10F3N3OS/c1-6(8(16)15-5-9(10,11)12)17-7-4-13-2-3-14-7/h2-4,6H,5H2,1H3,(H,15,16)/t6-/m0/s1
InChIKeyPSWFESSIEXVRNA-LURJTMIESA-N
MW265.26 g/mol
LogP1.64
Rot. Bonds4

About (2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 95982119) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is (2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID95982119
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name(2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](Sc1cnccn1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H10F3N3OS/c1-6(8(16)15-5-9(10,11)12)17-7-4-13-2-3-14-7/h2-4,6H,5H2,1H3,(H,15,16)/t6-/m0/s1
InChIKeyPSWFESSIEXVRNA-LURJTMIESA-N
XLogP1.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide (CID 95982119) is (2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide is C[C@H](Sc1cnccn1)C(=O)NCC(F)(F)F.
What is the InChIKey of (2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PSWFESSIEXVRNA-LURJTMIESA-N. The full InChI is InChI=1S/C9H10F3N3OS/c1-6(8(16)15-5-9(10,11)12)17-7-4-13-2-3-14-7/h2-4,6H,5H2,1H3,(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 265.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 95982119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).