N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H17F3N2O3S — CID 63708604

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC1(NC(=O)C2(C(F)(F)F)CCNC2)CCS(=O)(=O)C1
InChIInChI=1S/C11H17F3N2O3S/c1-9(3-5-20(18,19)7-9)16-8(17)10(11(12,13)14)2-4-15-6-10/h15H,2-7H2,1H3,(H,16,17)
InChIKeyXLBGGENOLNZSIR-UHFFFAOYSA-N
MW314.33 g/mol
LogP0.22
Rot. Bonds2

About N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708604) has the molecular formula C11H17F3N2O3S and a molecular weight of 314.33 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708604
Molecular FormulaC11H17F3N2O3S
Molecular Weight314.33 g/mol
Exact Mass314.09
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC1(NC(=O)C2(C(F)(F)F)CCNC2)CCS(=O)(=O)C1
InChIInChI=1S/C11H17F3N2O3S/c1-9(3-5-20(18,19)7-9)16-8(17)10(11(12,13)14)2-4-15-6-10/h15H,2-7H2,1H3,(H,16,17)
InChIKeyXLBGGENOLNZSIR-UHFFFAOYSA-N
XLogP0.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708604) is N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC1(NC(=O)C2(C(F)(F)F)CCNC2)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is XLBGGENOLNZSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3S/c1-9(3-5-20(18,19)7-9)16-8(17)10(11(12,13)14)2-4-15-6-10/h15H,2-7H2,1H3,(H,16,17).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).