(2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide

C7H13F3N2O3S — CID 129061059

IUPAC(2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide
SMILESCC(C[C@H](N)C(=O)NS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-4(7(8,9)10)3-5(11)6(13)12-16(2,14)15/h4-5H,3,11H2,1-2H3,(H,12,13)/t4?,5-/m0/s1
InChIKeyRYXYSKOAVDHBBQ-AKGZTFGVSA-N
MW262.25 g/mol
LogP-0.02
Rot. Bonds4

About (2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide

(2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide (PubChem CID 129061059) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is (2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide
PubChem CID129061059
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name(2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide
SMILESCC(C[C@H](N)C(=O)NS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-4(7(8,9)10)3-5(11)6(13)12-16(2,14)15/h4-5H,3,11H2,1-2H3,(H,12,13)/t4?,5-/m0/s1
InChIKeyRYXYSKOAVDHBBQ-AKGZTFGVSA-N
XLogP-0.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride
CID 129050816
2-amino-N-methylsulfonylbutanamide
CID 103287489
methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride
CID 170911098
2-methyl-N-methylsulfonylbutanamide
CID 18336288
2-amino-5,5,5-trifluoro-4-methylpentanoic acid;ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride
CID 159408077
(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287274
methyl 2,5,5,5-tetrafluoro-4-methylpentanoate
CID 152605145
5,5,5-trifluoro-4-methylpentan-2-amine
CID 55254968
3-amino-2-hydroxy-N-methylsulfonylpropanamide
CID 166957564
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
2,3-bis(2,2,2-trifluoroethylsulfonyl)butane
CID 158437454
(2S)-2-amino-4-[[(3S)-4,4,4-trifluoro-3-methylbutyl]sulfonimidoyl]butanoic acid
CID 170769810

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide?
The IUPAC name of (2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide (CID 129061059) is (2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide.
What is the SMILES notation for (2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide?
The canonical SMILES for (2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide is CC(C[C@H](N)C(=O)NS(C)(=O)=O)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide?
The InChIKey is RYXYSKOAVDHBBQ-AKGZTFGVSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c1-4(7(8,9)10)3-5(11)6(13)12-16(2,14)15/h4-5H,3,11H2,1-2H3,(H,12,13)/t4?,5-/m0/s1.
What are the key properties of (2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide?
(2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide has a molecular weight of 262.25 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide is sourced from PubChem (CID 129061059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).