3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid

C6H8F5NO4S — CID 130374949

IUPAC3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid
SMILESO=C(O)CCNS(=O)(=O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C6H8F5NO4S/c7-3-5(8,9)6(10,11)17(15,16)12-2-1-4(13)14/h12H,1-3H2,(H,13,14)
InChIKeyMIJXSCVTDZJOSO-UHFFFAOYSA-N
MW285.19 g/mol
LogP0.58
Rot. Bonds7

About 3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid

3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid (PubChem CID 130374949) has the molecular formula C6H8F5NO4S and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid
PubChem CID130374949
Molecular FormulaC6H8F5NO4S
Molecular Weight285.19 g/mol
Exact Mass285.01
IUPAC Name3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid
SMILESO=C(O)CCNS(=O)(=O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C6H8F5NO4S/c7-3-5(8,9)6(10,11)17(15,16)12-2-1-4(13)14/h12H,1-3H2,(H,13,14)
InChIKeyMIJXSCVTDZJOSO-UHFFFAOYSA-N
XLogP0.58
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonylamino)propanoic acid
CID 54479698
3-(2-(Perfluorohexyl)ethylsulfonylamino)propanoic acid
CID 163324817
3-(Trifluoromethanesulfonamido)propanoic acid
CID 15673148
3-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexylsulfonylamino)propanoic acid
CID 57011944
2,2-Dimethyl-3-(trifluoromethylsulfonylamino)propanoic acid
CID 87537734
3-(1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonylamino)propanoic acid
CID 129294837
3-(1,1,2,2,2-Pentafluoroethylsulfonylamino)propanoic acid
CID 129294842
3-(1,1,2,2,3,3,3-Heptafluoropropylsulfonylamino)propanoic acid
CID 129294848
3-(1,1,2,2,3-Pentafluoropropylsulfonylamino)butanoic acid
CID 130374952
3-(1,1,2,2,3-Pentafluoropropylsulfonylamino)propanoate
CID 141668259
2,2-Difluoro-3-[[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylamino]propanoic acid
CID 170261913
2-Fluoro-3-(methanesulfonamido)propanoic acid
CID 177752562

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid?
The IUPAC name of 3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid (CID 130374949) is 3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid?
The canonical SMILES for 3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid is O=C(O)CCNS(=O)(=O)C(F)(F)C(F)(F)CF.
What is the InChIKey of 3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid?
The InChIKey is MIJXSCVTDZJOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO4S/c7-3-5(8,9)6(10,11)17(15,16)12-2-1-4(13)14/h12H,1-3H2,(H,13,14).
What are the key properties of 3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid?
3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid has a molecular weight of 285.19 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,3-pentafluoropropylsulfonylamino)propanoic acid is sourced from PubChem (CID 130374949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).