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

C11H17F3N2O3S — CID 63709311

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1(C(F)(F)F)CCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17F3N2O3S/c1-16(8-2-5-20(18,19)6-8)9(17)10(11(12,13)14)3-4-15-7-10/h8,15H,2-7H2,1H3
InChIKeyOSLGBRIBVQCCIL-UHFFFAOYSA-N
MW314.33 g/mol
LogP0.17
Rot. Bonds2

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

N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709311) has the molecular formula C11H17F3N2O3S and a molecular weight of 314.33 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709311
Molecular FormulaC11H17F3N2O3S
Molecular Weight314.33 g/mol
Exact Mass314.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1(C(F)(F)F)CCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17F3N2O3S/c1-16(8-2-5-20(18,19)6-8)9(17)10(11(12,13)14)3-4-15-7-10/h8,15H,2-7H2,1H3
InChIKeyOSLGBRIBVQCCIL-UHFFFAOYSA-N
XLogP0.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 45812225
(1,1-Dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 55227455
N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227641
N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 56434077
N-butyl-N-(1,1-dioxothiolan-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60437277
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708604
N-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708756
N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708947
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708959
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709140
N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709470
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710059

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709311) is N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(C(=O)C1(C(F)(F)F)CCNC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is OSLGBRIBVQCCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3S/c1-16(8-2-5-20(18,19)6-8)9(17)10(11(12,13)14)3-4-15-7-10/h8,15H,2-7H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).