2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide

C7H11F3N2O3S — CID 131015407

IUPAC2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O3S/c1-16(14,15)12-3-2-5(4-12)11-6(13)7(8,9)10/h5H,2-4H2,1H3,(H,11,13)
InChIKeyHOVLWFWKVSOGCP-UHFFFAOYSA-N
MW260.24 g/mol
LogP-0.30
Rot. Bonds2

About 2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide

2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide (PubChem CID 131015407) has the molecular formula C7H11F3N2O3S and a molecular weight of 260.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide
PubChem CID131015407
Molecular FormulaC7H11F3N2O3S
Molecular Weight260.24 g/mol
Exact Mass260.04
IUPAC Name2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O3S/c1-16(14,15)12-3-2-5(4-12)11-6(13)7(8,9)10/h5H,2-4H2,1H3,(H,11,13)
InChIKeyHOVLWFWKVSOGCP-UHFFFAOYSA-N
XLogP-0.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
CID 118073718
[(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea
CID 140552167
N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide
CID 169240283
3,3-Difluoro-4-(methanesulfonamido)pyrrolidine-1-carboxamide
CID 177772560
N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide
CID 60805312
2-[Difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide
CID 60805356
1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 60806327
2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
CID 63903656
2,2-difluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
CID 103515520
2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
CID 103637532
2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106336369
2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide
CID 107167631

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide (CID 131015407) is 2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide is CS(=O)(=O)N1CCC(NC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
The InChIKey is HOVLWFWKVSOGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3S/c1-16(14,15)12-3-2-5(4-12)11-6(13)7(8,9)10/h5H,2-4H2,1H3,(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide has a molecular weight of 260.24 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 131015407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).