N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C11H15F3N2O4S — CID 110343868

IUPACN-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O4S/c12-11(13,14)10(18)16-4-1-2-8(16)9(17)15-7-3-5-21(19,20)6-7/h7-8H,1-6H2,(H,15,17)
InChIKeyAZOSPCZDJWDORQ-UHFFFAOYSA-N
MW328.31 g/mol
LogP-0.16
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110343868) has the molecular formula C11H15F3N2O4S and a molecular weight of 328.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110343868
Molecular FormulaC11H15F3N2O4S
Molecular Weight328.31 g/mol
Exact Mass328.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O4S/c12-11(13,14)10(18)16-4-1-2-8(16)9(17)15-7-3-5-21(19,20)6-7/h7-8H,1-6H2,(H,15,17)
InChIKeyAZOSPCZDJWDORQ-UHFFFAOYSA-N
XLogP-0.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide
CID 22732196
N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]-2,2,2-trifluoroethanesulfonamide
CID 69891265
[4,4-Difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride
CID 170590204
1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 56012651
1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 56012777
1-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 56014062
1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 75413891
(2R)-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95266310
(2S)-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95266311
N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 108467367
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 108467408
N-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110287582

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110343868) is N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is O=C(NC1CCS(=O)(=O)C1)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is AZOSPCZDJWDORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O4S/c12-11(13,14)10(18)16-4-1-2-8(16)9(17)15-7-3-5-21(19,20)6-7/h7-8H,1-6H2,(H,15,17).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 328.31 g/mol, XLogP of -0.16, 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)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110343868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).