N-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide

C8H13F3N2O3S — CID 138024990

IUPACN-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O3S/c1-12-17(15,16)5-7(14)13-3-2-6(4-13)8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyODLZQEDNWWAGCE-UHFFFAOYSA-N
MW274.26 g/mol
LogP-0.05
Rot. Bonds3

About N-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide

N-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide (PubChem CID 138024990) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is N-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide
PubChem CID138024990
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC NameN-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O3S/c1-12-17(15,16)5-7(14)13-3-2-6(4-13)8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyODLZQEDNWWAGCE-UHFFFAOYSA-N
XLogP-0.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N-propylacetamide
CID 138006531
N-methyl-2-oxo-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide
CID 138016806
(3S)-N-ethylsulfonyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 164633683
1-(2,2,2-Trifluoroacetyl)pyrrolidine-3-sulfonamide
CID 137380155
N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylsulfonyl]propanamide
CID 176637980
[1-(2,2,2-Trifluoroacetyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 83671411
(3S,4S)-1-acetyl-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
CID 128371432
N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide
CID 136519936
N-ethylsulfonyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 136539371
N-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-3-sulfonamide
CID 137846984
2-[(3S,4S)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N-propylacetamide
CID 137976656
N-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 138024991

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide?
The IUPAC name of N-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide (CID 138024990) is N-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide is CNS(=O)(=O)CC(=O)N1CCC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide?
The InChIKey is ODLZQEDNWWAGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c1-12-17(15,16)5-7(14)13-3-2-6(4-13)8(9,10)11/h6,12H,2-5H2,1H3.
What are the key properties of N-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide?
N-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide has a molecular weight of 274.26 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide is sourced from PubChem (CID 138024990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).