(2S)-2-(difluoromethylsulfonylamino)hexanoic acid

C7H13F2NO4S — CID 107144942

IUPAC(2S)-2-(difluoromethylsulfonylamino)hexanoic acid
SMILESCCCC[C@H](NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C7H13F2NO4S/c1-2-3-4-5(6(11)12)10-15(13,14)7(8)9/h5,7,10H,2-4H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyVGQQFLLYNXCKMF-YFKPBYRVSA-N
MW245.25 g/mol
LogP0.77
Rot. Bonds7

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

(2S)-2-(difluoromethylsulfonylamino)hexanoic acid (PubChem CID 107144942) has the molecular formula C7H13F2NO4S and a molecular weight of 245.25 g/mol. Its IUPAC name is (2S)-2-(difluoromethylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(difluoromethylsulfonylamino)hexanoic acid
PubChem CID107144942
Molecular FormulaC7H13F2NO4S
Molecular Weight245.25 g/mol
Exact Mass245.05
IUPAC Name(2S)-2-(difluoromethylsulfonylamino)hexanoic acid
SMILESCCCC[C@H](NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C7H13F2NO4S/c1-2-3-4-5(6(11)12)10-15(13,14)7(8)9/h5,7,10H,2-4H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyVGQQFLLYNXCKMF-YFKPBYRVSA-N
XLogP0.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-6-sulfamoylhexanoic acid
CID 11482004
N-trifluoromethanesulfonyl leucine
CID 61156557
N6-(Methylsulfonyl)-L-lysine
CID 16067008
4-Methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 5247422
6-(Trifluoromethylsulfonylamino)hexanoic acid
CID 43361180
3-Methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 43361323
(2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid
CID 54324263
N-(Trifluoromethylsulfonyl)-L-isoleucine
CID 61136297
(2S)-3-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 61173473
(2R)-5-amino-2-fluoro-2-[fluoro(methylsulfonyl)amino]pentanoic acid
CID 87217393
5-Amino-2-(difluoromethylsulfonylamino)pentanoic acid
CID 87217395
2-(Butylsulfonylamino)-6,6,6-trifluorohexanoic acid
CID 88045967

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethylsulfonylamino)hexanoic acid?
The IUPAC name of (2S)-2-(difluoromethylsulfonylamino)hexanoic acid (CID 107144942) is (2S)-2-(difluoromethylsulfonylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(difluoromethylsulfonylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(difluoromethylsulfonylamino)hexanoic acid is CCCC[C@H](NS(=O)(=O)C(F)F)C(=O)O.
What is the InChIKey of (2S)-2-(difluoromethylsulfonylamino)hexanoic acid?
The InChIKey is VGQQFLLYNXCKMF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13F2NO4S/c1-2-3-4-5(6(11)12)10-15(13,14)7(8)9/h5,7,10H,2-4H2,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-(difluoromethylsulfonylamino)hexanoic acid?
(2S)-2-(difluoromethylsulfonylamino)hexanoic acid has a molecular weight of 245.25 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethylsulfonylamino)hexanoic acid is sourced from PubChem (CID 107144942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).