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

C9H15F3N2O3S — CID 63709140

IUPACN-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H15F3N2O3S/c1-18(16,17)5-4-14-7(15)8(9(10,11)12)2-3-13-6-8/h13H,2-6H2,1H3,(H,14,15)
InChIKeyRLLZVHDRBTWFPT-UHFFFAOYSA-N
MW288.29 g/mol
LogP-0.31
Rot. Bonds4

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

N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709140) has the molecular formula C9H15F3N2O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709140
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC NameN-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H15F3N2O3S/c1-18(16,17)5-4-14-7(15)8(9(10,11)12)2-3-13-6-8/h13H,2-6H2,1H3,(H,14,15)
InChIKeyRLLZVHDRBTWFPT-UHFFFAOYSA-N
XLogP-0.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709140) is N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CS(=O)(=O)CCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is RLLZVHDRBTWFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c1-18(16,17)5-4-14-7(15)8(9(10,11)12)2-3-13-6-8/h13H,2-6H2,1H3,(H,14,15).
What are the key properties of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 288.29 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).