2-(trifluoromethylsulfonylamino)pentanoic acid

C6H10F3NO4S — CID 43631272

IUPAC2-(trifluoromethylsulfonylamino)pentanoic acid
SMILESCCCC(NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO4S/c1-2-3-4(5(11)12)10-15(13,14)6(7,8)9/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyZQYDFIARXXQIGY-UHFFFAOYSA-N
MW249.21 g/mol
LogP0.68
Rot. Bonds5

About 2-(trifluoromethylsulfonylamino)pentanoic acid

2-(trifluoromethylsulfonylamino)pentanoic acid (PubChem CID 43631272) has the molecular formula C6H10F3NO4S and a molecular weight of 249.21 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name2-(trifluoromethylsulfonylamino)pentanoic acid
PubChem CID43631272
Molecular FormulaC6H10F3NO4S
Molecular Weight249.21 g/mol
Exact Mass249.03
IUPAC Name2-(trifluoromethylsulfonylamino)pentanoic acid
SMILESCCCC(NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO4S/c1-2-3-4(5(11)12)10-15(13,14)6(7,8)9/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyZQYDFIARXXQIGY-UHFFFAOYSA-N
XLogP0.68
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-trifluoromethanesulfonyl leucine
CID 61156557
4-Methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 5247422
3-Methyl-2-(trifluoromethylsulfonylamino)butanoic acid
CID 22359370
2-(Trifluoromethylsulfonylamino)propanoic acid
CID 43361292
3-Methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 43361323
(2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid
CID 54324263
((Trifluoromethyl)sulfonyl)-L-valine
CID 54356532
(2S)-2-(trifluoromethanesulfonamido)propanoic acid
CID 61131271
N-(Trifluoromethylsulfonyl)-L-isoleucine
CID 61136297
(2S)-3-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 61173473
(2S)-2-(trifluoromethylsulfonylamino)butanoic acid
CID 81671204
(2R)-5-amino-2-fluoro-2-[fluoro(methylsulfonyl)amino]pentanoic acid
CID 87217393

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonylamino)pentanoic acid?
The IUPAC name of 2-(trifluoromethylsulfonylamino)pentanoic acid (CID 43631272) is 2-(trifluoromethylsulfonylamino)pentanoic acid.
What is the SMILES notation for 2-(trifluoromethylsulfonylamino)pentanoic acid?
The canonical SMILES for 2-(trifluoromethylsulfonylamino)pentanoic acid is CCCC(NS(=O)(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-(trifluoromethylsulfonylamino)pentanoic acid?
The InChIKey is ZQYDFIARXXQIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO4S/c1-2-3-4(5(11)12)10-15(13,14)6(7,8)9/h4,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(trifluoromethylsulfonylamino)pentanoic acid?
2-(trifluoromethylsulfonylamino)pentanoic acid has a molecular weight of 249.21 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonylamino)pentanoic acid is sourced from PubChem (CID 43631272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).