N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide

C9H17F3N2O2S — CID 63090701

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2S/c1-2-17(15,16)13-5-8-3-4-14(6-8)7-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyUBBPHAXIESTYIZ-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.81
Rot. Bonds5

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide (PubChem CID 63090701) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide
PubChem CID63090701
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2S/c1-2-17(15,16)13-5-8-3-4-14(6-8)7-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyUBBPHAXIESTYIZ-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide (CID 63090701) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide?
The InChIKey is UBBPHAXIESTYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-2-17(15,16)13-5-8-3-4-14(6-8)7-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 63090701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).