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

C7H12F3NO4S — CID 107144934

IUPAC(2S)-2-(trifluoromethylsulfonylamino)hexanoic acid
SMILESCCCC[C@H](NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H12F3NO4S/c1-2-3-4-5(6(12)13)11-16(14,15)7(8,9)10/h5,11H,2-4H2,1H3,(H,12,13)/t5-/m0/s1
InChIKeyJZPWQIUKORLACR-YFKPBYRVSA-N
MW263.24 g/mol
LogP1.07
Rot. Bonds6

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

(2S)-2-(trifluoromethylsulfonylamino)hexanoic acid (PubChem CID 107144934) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is (2S)-2-(trifluoromethylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(trifluoromethylsulfonylamino)hexanoic acid
PubChem CID107144934
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name(2S)-2-(trifluoromethylsulfonylamino)hexanoic acid
SMILESCCCC[C@H](NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H12F3NO4S/c1-2-3-4-5(6(12)13)11-16(14,15)7(8,9)10/h5,11H,2-4H2,1H3,(H,12,13)/t5-/m0/s1
InChIKeyJZPWQIUKORLACR-YFKPBYRVSA-N
XLogP1.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(trifluoromethylsulfonylamino)hexanoic acid?
The IUPAC name of (2S)-2-(trifluoromethylsulfonylamino)hexanoic acid (CID 107144934) is (2S)-2-(trifluoromethylsulfonylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(trifluoromethylsulfonylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(trifluoromethylsulfonylamino)hexanoic acid is CCCC[C@H](NS(=O)(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-(trifluoromethylsulfonylamino)hexanoic acid?
The InChIKey is JZPWQIUKORLACR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c1-2-3-4-5(6(12)13)11-16(14,15)7(8,9)10/h5,11H,2-4H2,1H3,(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-(trifluoromethylsulfonylamino)hexanoic acid?
(2S)-2-(trifluoromethylsulfonylamino)hexanoic acid has a molecular weight of 263.24 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(trifluoromethylsulfonylamino)hexanoic acid is sourced from PubChem (CID 107144934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).