(2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid

C7H13F3N2O4S — CID 54324263

IUPAC(2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid
SMILESNCCCC[C@H](NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H13F3N2O4S/c8-7(9,10)17(15,16)12-5(6(13)14)3-1-2-4-11/h5,12H,1-4,11H2,(H,13,14)/t5-/m0/s1
InChIKeySTULEBACXSHVLL-YFKPBYRVSA-N
MW278.25 g/mol
LogP0.01
Rot. Bonds7

About (2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid

(2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid (PubChem CID 54324263) has the molecular formula C7H13F3N2O4S and a molecular weight of 278.25 g/mol. Its IUPAC name is (2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid
PubChem CID54324263
Molecular FormulaC7H13F3N2O4S
Molecular Weight278.25 g/mol
Exact Mass278.05
IUPAC Name(2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid
SMILESNCCCC[C@H](NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H13F3N2O4S/c8-7(9,10)17(15,16)12-5(6(13)14)3-1-2-4-11/h5,12H,1-4,11H2,(H,13,14)/t5-/m0/s1
InChIKeySTULEBACXSHVLL-YFKPBYRVSA-N
XLogP0.01
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid (CID 54324263) is (2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid is NCCCC[C@H](NS(=O)(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid?
The InChIKey is STULEBACXSHVLL-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13F3N2O4S/c8-7(9,10)17(15,16)12-5(6(13)14)3-1-2-4-11/h5,12H,1-4,11H2,(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid?
(2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid has a molecular weight of 278.25 g/mol, XLogP of 0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid is sourced from PubChem (CID 54324263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).