N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide

C11H19F3N2O3S — CID 45200775

IUPACN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide
SMILESCC(C)(C)CN1CC(NS(=O)(=O)CC(F)(F)F)CC1=O
InChIInChI=1S/C11H19F3N2O3S/c1-10(2,3)6-16-5-8(4-9(16)17)15-20(18,19)7-11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKeyCEXKBHLVCALQEQ-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.12
Rot. Bonds4

About N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide

N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide (PubChem CID 45200775) has the molecular formula C11H19F3N2O3S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide
PubChem CID45200775
Molecular FormulaC11H19F3N2O3S
Molecular Weight316.35 g/mol
Exact Mass316.11
IUPAC NameN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide
SMILESCC(C)(C)CN1CC(NS(=O)(=O)CC(F)(F)F)CC1=O
InChIInChI=1S/C11H19F3N2O3S/c1-10(2,3)6-16-5-8(4-9(16)17)15-20(18,19)7-11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKeyCEXKBHLVCALQEQ-UHFFFAOYSA-N
XLogP1.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.12
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-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide (CID 45200775) is N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide is CC(C)(C)CN1CC(NS(=O)(=O)CC(F)(F)F)CC1=O.
What is the InChIKey of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide?
The InChIKey is CEXKBHLVCALQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3S/c1-10(2,3)6-16-5-8(4-9(16)17)15-20(18,19)7-11(12,13)14/h8,15H,4-7H2,1-3H3.
What are the key properties of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide?
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide has a molecular weight of 316.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 45200775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).