[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide

C11H17F3N4O2S — CID 56790706

IUPAC[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN1Cc1nccn1CC(F)(F)F
InChIInChI=1S/C11H17F3N4O2S/c12-11(13,14)8-18-5-3-16-10(18)6-17-4-1-2-9(17)7-21(15,19)20/h3,5,9H,1-2,4,6-8H2,(H2,15,19,20)
InChIKeyKAZYTAYEDQMZET-UHFFFAOYSA-N
MW326.34 g/mol
LogP0.70
Rot. Bonds5

About [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide

[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide (PubChem CID 56790706) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide
PubChem CID56790706
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC Name[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN1Cc1nccn1CC(F)(F)F
InChIInChI=1S/C11H17F3N4O2S/c12-11(13,14)8-18-5-3-16-10(18)6-17-4-1-2-9(17)7-21(15,19)20/h3,5,9H,1-2,4,6-8H2,(H2,15,19,20)
InChIKeyKAZYTAYEDQMZET-UHFFFAOYSA-N
XLogP0.70
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide?
The IUPAC name of [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide (CID 56790706) is [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide.
What is the SMILES notation for [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide?
The canonical SMILES for [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide is NS(=O)(=O)CC1CCCN1Cc1nccn1CC(F)(F)F.
What is the InChIKey of [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide?
The InChIKey is KAZYTAYEDQMZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c12-11(13,14)8-18-5-3-16-10(18)6-17-4-1-2-9(17)7-21(15,19)20/h3,5,9H,1-2,4,6-8H2,(H2,15,19,20).
What are the key properties of [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide?
[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide has a molecular weight of 326.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide is sourced from PubChem (CID 56790706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).