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

C10H17F3N2O3S — CID 79859258

IUPACN-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O3S/c1-15(5-6-19(2,17)18)8(16)9(10(11,12)13)3-4-14-7-9/h14H,3-7H2,1-2H3
InChIKeyUOHZEKQUVOCDSU-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.03
Rot. Bonds4

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

N-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 79859258) has the molecular formula C10H17F3N2O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID79859258
Molecular FormulaC10H17F3N2O3S
Molecular Weight302.32 g/mol
Exact Mass302.09
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O3S/c1-15(5-6-19(2,17)18)8(16)9(10(11,12)13)3-4-14-7-9/h14H,3-7H2,1-2H3
InChIKeyUOHZEKQUVOCDSU-UHFFFAOYSA-N
XLogP0.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 79859258) is N-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(CCS(C)(=O)=O)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is UOHZEKQUVOCDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3S/c1-15(5-6-19(2,17)18)8(16)9(10(11,12)13)3-4-14-7-9/h14H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 302.32 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79859258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).