3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

C7H13F3N2O3S — CID 103357539

IUPAC3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESCC1(O)CCN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O3S/c1-6(13)2-3-12(5-6)16(14,15)11-4-7(8,9)10/h11,13H,2-5H2,1H3
InChIKeyOKWLMXZGCVOHNS-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.16
Rot. Bonds3

About 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (PubChem CID 103357539) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
PubChem CID103357539
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESCC1(O)CCN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O3S/c1-6(13)2-3-12(5-6)16(14,15)11-4-7(8,9)10/h11,13H,2-5H2,1H3
InChIKeyOKWLMXZGCVOHNS-UHFFFAOYSA-N
XLogP-0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Difluoro-3-methylpyrrolidin-3-ol
CID 166166240
4,4-Difluoro-3-methylpyrrolidin-3-ol;ethane
CID 166167287
3-Methyl-1-(trifluoromethylsulfonyl)pyrrolidin-3-ol
CID 103357540
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide
CID 114759997
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide
CID 114760085
3-Hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
CID 114805127
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol
CID 114805134
3-Hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide
CID 130161631
3-Hydroxy-3-methylpyrrolidine-1-sulfonamide
CID 103727867
3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide
CID 103357537
3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide
CID 103357564
N-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide
CID 103871508

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (CID 103357539) is 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is CC1(O)CCN(S(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The InChIKey is OKWLMXZGCVOHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c1-6(13)2-3-12(5-6)16(14,15)11-4-7(8,9)10/h11,13H,2-5H2,1H3.
What are the key properties of 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide has a molecular weight of 262.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 103357539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).