2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid

C6H10F3NO4S — CID 63226128

IUPAC2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c1-4(5(11)12)15(13,14)10-3-2-6(7,8)9/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyRLSUFVRUNMSKJC-UHFFFAOYSA-N
MW249.21 g/mol
LogP0.33
Rot. Bonds5

About 2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid

2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid (PubChem CID 63226128) has the molecular formula C6H10F3NO4S and a molecular weight of 249.21 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid
PubChem CID63226128
Molecular FormulaC6H10F3NO4S
Molecular Weight249.21 g/mol
Exact Mass249.03
IUPAC Name2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c1-4(5(11)12)15(13,14)10-3-2-6(7,8)9/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyRLSUFVRUNMSKJC-UHFFFAOYSA-N
XLogP0.33
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22936175
3-(Methylsulfamoyl)propanoic acid
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(2R)-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid
CID 83068615
2-(Methylsulfonyl)ethylamine trifluoroacetate
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(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid
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2-Amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid
CID 87289633
(2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid
CID 89124254
2-Amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid
CID 89124256
(2R)-2-(4,4,4-trifluorobutylsulfinylamino)propanoic acid
CID 91014222
N-butylmethanesulfonamide;2,2,2-trifluoroacetic acid
CID 118512625
4-(2,2,2-Trifluoroethylsulfonylamino)butanoic acid
CID 120605755
3-(1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonylamino)propanoic acid
CID 129294837

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid?
The IUPAC name of 2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid (CID 63226128) is 2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid?
The InChIKey is RLSUFVRUNMSKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO4S/c1-4(5(11)12)15(13,14)10-3-2-6(7,8)9/h4,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid?
2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid has a molecular weight of 249.21 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylsulfamoyl)propanoic acid is sourced from PubChem (CID 63226128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).