4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid

C7H12F3NO4S — CID 62044383

IUPAC4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c1-6(2,4-3-5(12)13)11-16(14,15)7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13)
InChIKeySIPBNPOGJXESHY-UHFFFAOYSA-N
MW263.24 g/mol
LogP1.07
Rot. Bonds5

About 4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid

4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid (PubChem CID 62044383) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is 4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid
PubChem CID62044383
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c1-6(2,4-3-5(12)13)11-16(14,15)7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13)
InChIKeySIPBNPOGJXESHY-UHFFFAOYSA-N
XLogP1.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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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-(Difluoromethylsulfonylamino)-4-methylpentanoic acid
CID 62041586
4-(Trifluoromethylsulfonylamino)pentanoic acid
CID 64096942
3-[(Trifluoromethylsulfonylamino)methyl]pentanoic acid
CID 81066446
1-(Trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164990
4-Methyl-4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83067879
4-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
CID 114805884
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-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid (CID 62044383) is 4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid is CC(C)(CCC(=O)O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid?
The InChIKey is SIPBNPOGJXESHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c1-6(2,4-3-5(12)13)11-16(14,15)7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid?
4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid has a molecular weight of 263.24 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(trifluoromethylsulfonylamino)pentanoic acid is sourced from PubChem (CID 62044383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).