1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C9H15F3N2O3S — CID 75413891

IUPAC1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCS(=O)(=O)N1CCCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3S/c1-2-18(16,17)14-5-3-4-7(14)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyBTEXYLHSPIRBRP-UHFFFAOYSA-N
MW288.29 g/mol
LogP0.48
Rot. Bonds4

About 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 75413891) has the molecular formula C9H15F3N2O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID75413891
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC Name1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCS(=O)(=O)N1CCCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3S/c1-2-18(16,17)14-5-3-4-7(14)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyBTEXYLHSPIRBRP-UHFFFAOYSA-N
XLogP0.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-(3-Trifluoromethanesulfonylamino-propionyl)-pyrrolidine-2-carboxylic acid amide
CID 11336088
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide
CID 164639979
N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride
CID 22732195
N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide
CID 22732196
N-[(2S)-6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl]-4-(2,2,2-trifluoroethylsulfonylamino)butanamide
CID 54047484
N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]-2,2,2-trifluoroethanesulfonamide;hydrochloride
CID 69891264
N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]-2,2,2-trifluoroethanesulfonamide
CID 69891265
(2S)-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide
CID 89826343
4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide
CID 89826344
N-[(5S)-5-amino-6-oxo-6-pyrrolidin-1-ylhexyl]-4-(2,2,2-trifluoroethylsulfonylamino)butanamide
CID 90768027
(4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide
CID 118349047
1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide
CID 126480634

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 75413891) is 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CCS(=O)(=O)N1CCCC1C(=O)NCC(F)(F)F.
What is the InChIKey of 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is BTEXYLHSPIRBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c1-2-18(16,17)14-5-3-4-7(14)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15).
What are the key properties of 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 288.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75413891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).