(2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide

C9H11FN2OS — CID 129480488

IUPAC(2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide
SMILESCS[C@H](C)C(=O)Nc1cncc(F)c1
InChIInChI=1S/C9H11FN2OS/c1-6(14-2)9(13)12-8-3-7(10)4-11-5-8/h3-6H,1-2H3,(H,12,13)/t6-/m1/s1
InChIKeySCYJBNDRWQUVDG-ZCFIWIBFSA-N
MW214.26 g/mol
LogP1.91
Rot. Bonds3

About (2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide

(2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide (PubChem CID 129480488) has the molecular formula C9H11FN2OS and a molecular weight of 214.26 g/mol. Its IUPAC name is (2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide
PubChem CID129480488
Molecular FormulaC9H11FN2OS
Molecular Weight214.26 g/mol
Exact Mass214.06
IUPAC Name(2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide
SMILESCS[C@H](C)C(=O)Nc1cncc(F)c1
InChIInChI=1S/C9H11FN2OS/c1-6(14-2)9(13)12-8-3-7(10)4-11-5-8/h3-6H,1-2H3,(H,12,13)/t6-/m1/s1
InChIKeySCYJBNDRWQUVDG-ZCFIWIBFSA-N
XLogP1.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide?
The IUPAC name of (2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide (CID 129480488) is (2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide is CS[C@H](C)C(=O)Nc1cncc(F)c1.
What is the InChIKey of (2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide?
The InChIKey is SCYJBNDRWQUVDG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11FN2OS/c1-6(14-2)9(13)12-8-3-7(10)4-11-5-8/h3-6H,1-2H3,(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide?
(2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide has a molecular weight of 214.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-fluoro-3-pyridinyl)-2-methylsulfanylpropanamide is sourced from PubChem (CID 129480488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).