4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

C10H17F3N2O5S — CID 60950229

IUPAC4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H17F3N2O5S/c1-14(2)8(16)6-15(7-10(11,12)13)21(19,20)5-3-4-9(17)18/h3-7H2,1-2H3,(H,17,18)
InChIKeyVCEZYZMNOIWCHK-UHFFFAOYSA-N
MW334.32 g/mol
LogP0.13
Rot. Bonds8

About 4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (PubChem CID 60950229) has the molecular formula C10H17F3N2O5S and a molecular weight of 334.32 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
PubChem CID60950229
Molecular FormulaC10H17F3N2O5S
Molecular Weight334.32 g/mol
Exact Mass334.08
IUPAC Name4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H17F3N2O5S/c1-14(2)8(16)6-15(7-10(11,12)13)21(19,20)5-3-4-9(17)18/h3-7H2,1-2H3,(H,17,18)
InChIKeyVCEZYZMNOIWCHK-UHFFFAOYSA-N
XLogP0.13
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]sulfonylbutanoic acid
CID 43362701
2-[[2-(Dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60950228
3-[[2-(Dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60950230
4-[Methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfamoyl]butanoic acid
CID 60950540
2-[[2-(Dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61458017
2-[2-(Dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
CID 107424581
4-[[2-(Dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid
CID 43310947
4-[[2-(Dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid
CID 43375036
3-[[2-(Dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid
CID 43375037
4-[[2-(Dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid
CID 43588557
3-[[2-(Dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
CID 43588558
4-[[2-(Diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid
CID 54876258

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (CID 60950229) is 4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is CN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The InChIKey is VCEZYZMNOIWCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O5S/c1-14(2)8(16)6-15(7-10(11,12)13)21(19,20)5-3-4-9(17)18/h3-7H2,1-2H3,(H,17,18).
What are the key properties of 4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid has a molecular weight of 334.32 g/mol, XLogP of 0.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60950229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).