N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H19F3N2O3S — CID 79550307

IUPACN-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(CNC(=O)C1(C(F)(F)F)CCNC1)S(C)(=O)=O
InChIInChI=1S/C11H19F3N2O3S/c1-9(2,20(3,18)19)6-16-8(17)10(11(12,13)14)4-5-15-7-10/h15H,4-7H2,1-3H3,(H,16,17)
InChIKeyILAKBYVTMWVFFT-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.47
Rot. Bonds4

About N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 79550307) has the molecular formula C11H19F3N2O3S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID79550307
Molecular FormulaC11H19F3N2O3S
Molecular Weight316.35 g/mol
Exact Mass316.11
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(CNC(=O)C1(C(F)(F)F)CCNC1)S(C)(=O)=O
InChIInChI=1S/C11H19F3N2O3S/c1-9(2,20(3,18)19)6-16-8(17)10(11(12,13)14)4-5-15-7-10/h15H,4-7H2,1-3H3,(H,16,17)
InChIKeyILAKBYVTMWVFFT-UHFFFAOYSA-N
XLogP0.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 79550307) is N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(C)(CNC(=O)C1(C(F)(F)F)CCNC1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is ILAKBYVTMWVFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3S/c1-9(2,20(3,18)19)6-16-8(17)10(11(12,13)14)4-5-15-7-10/h15H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 316.35 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79550307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).