4-(difluoromethylsulfonylamino)-4-methylpentanoic acid

C7H13F2NO4S — CID 62041586

IUPAC4-(difluoromethylsulfonylamino)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2NO4S/c1-7(2,4-3-5(11)12)10-15(13,14)6(8)9/h6,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyFTMKIFFTQMSHMT-UHFFFAOYSA-N
MW245.25 g/mol
LogP0.77
Rot. Bonds6

About 4-(difluoromethylsulfonylamino)-4-methylpentanoic acid

4-(difluoromethylsulfonylamino)-4-methylpentanoic acid (PubChem CID 62041586) has the molecular formula C7H13F2NO4S and a molecular weight of 245.25 g/mol. Its IUPAC name is 4-(difluoromethylsulfonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(difluoromethylsulfonylamino)-4-methylpentanoic acid
PubChem CID62041586
Molecular FormulaC7H13F2NO4S
Molecular Weight245.25 g/mol
Exact Mass245.05
IUPAC Name4-(difluoromethylsulfonylamino)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2NO4S/c1-7(2,4-3-5(11)12)10-15(13,14)6(8)9/h6,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyFTMKIFFTQMSHMT-UHFFFAOYSA-N
XLogP0.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

2-Cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid
CID 43163308
2-Cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid
CID 43361630
2-(Difluoromethylsulfonylamino)-2-methylpentanoic acid
CID 43619244
2-Methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 43619261
4-Methyl-4-(trifluoromethylsulfonylamino)pentanoic acid
CID 62044383
4-(Difluoromethylsulfonylamino)pentanoic acid
CID 64097344
3-[(Difluoromethylsulfonylamino)methyl]pentanoic acid
CID 81066807
1-(Difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81165338
4-Methyl-4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83067879
2-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83068689
4-(3-Fluoropropylsulfonylamino)-4-methylpentanoic acid
CID 120083576
4-[(3,3-Difluorocyclobutyl)methylsulfonylamino]-4-methylpentanoic acid
CID 122068714

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonylamino)-4-methylpentanoic acid?
The IUPAC name of 4-(difluoromethylsulfonylamino)-4-methylpentanoic acid (CID 62041586) is 4-(difluoromethylsulfonylamino)-4-methylpentanoic acid.
What is the SMILES notation for 4-(difluoromethylsulfonylamino)-4-methylpentanoic acid?
The canonical SMILES for 4-(difluoromethylsulfonylamino)-4-methylpentanoic acid is CC(C)(CCC(=O)O)NS(=O)(=O)C(F)F.
What is the InChIKey of 4-(difluoromethylsulfonylamino)-4-methylpentanoic acid?
The InChIKey is FTMKIFFTQMSHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO4S/c1-7(2,4-3-5(11)12)10-15(13,14)6(8)9/h6,10H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 4-(difluoromethylsulfonylamino)-4-methylpentanoic acid?
4-(difluoromethylsulfonylamino)-4-methylpentanoic acid has a molecular weight of 245.25 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 62041586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).