4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C11H19F3N2O3S — CID 84597123

IUPAC4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC(C)(CNC1CC(=O)N(CC(F)(F)F)C1)S(C)(=O)=O
InChIInChI=1S/C11H19F3N2O3S/c1-10(2,20(3,18)19)6-15-8-4-9(17)16(5-8)7-11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKeyXEXDABBGJNIBIV-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.56
Rot. Bonds5

About 4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 84597123) has the molecular formula C11H19F3N2O3S and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID84597123
Molecular FormulaC11H19F3N2O3S
Molecular Weight316.35 g/mol
Exact Mass316.11
IUPAC Name4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC(C)(CNC1CC(=O)N(CC(F)(F)F)C1)S(C)(=O)=O
InChIInChI=1S/C11H19F3N2O3S/c1-10(2,20(3,18)19)6-15-8-4-9(17)16(5-8)7-11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKeyXEXDABBGJNIBIV-UHFFFAOYSA-N
XLogP0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 84597123) is 4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CC(C)(CNC1CC(=O)N(CC(F)(F)F)C1)S(C)(=O)=O.
What is the InChIKey of 4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is XEXDABBGJNIBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3S/c1-10(2,20(3,18)19)6-15-8-4-9(17)16(5-8)7-11(12,13)14/h8,15H,4-7H2,1-3H3.
What are the key properties of 4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 316.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-2-methylsulfonylpropyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 84597123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).