2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid

C7H13F3N2O4S — CID 114806866

IUPAC2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
SMILESCC(C)(CNS(=O)(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H13F3N2O4S/c1-6(2,5(13)14)3-11-17(15,16)12-4-7(8,9)10/h11-12H,3-4H2,1-2H3,(H,13,14)
InChIKeyTYBVAJWBQMBJHK-UHFFFAOYSA-N
MW278.25 g/mol
LogP0.08
Rot. Bonds6

About 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid

2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid (PubChem CID 114806866) has the molecular formula C7H13F3N2O4S and a molecular weight of 278.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
PubChem CID114806866
Molecular FormulaC7H13F3N2O4S
Molecular Weight278.25 g/mol
Exact Mass278.05
IUPAC Name2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
SMILESCC(C)(CNS(=O)(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H13F3N2O4S/c1-6(2,5(13)14)3-11-17(15,16)12-4-7(8,9)10/h11-12H,3-4H2,1-2H3,(H,13,14)
InChIKeyTYBVAJWBQMBJHK-UHFFFAOYSA-N
XLogP0.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid
CID 79629822
2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
CID 106170327
3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid
CID 114533437
methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate
CID 114811439
3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 114809835
2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
CID 114811374
4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
CID 114806969
tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate
CID 155097174
N-(2,2,2-trifluoroethylsulfamoyl)prop-2-yn-1-amine
CID 114812561
2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
CID 114807656
(2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 104977827
2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114805476

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid (CID 114806866) is 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid is CC(C)(CNS(=O)(=O)NCC(F)(F)F)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
The InChIKey is TYBVAJWBQMBJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O4S/c1-6(2,5(13)14)3-11-17(15,16)12-4-7(8,9)10/h11-12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid has a molecular weight of 278.25 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid is sourced from PubChem (CID 114806866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).