3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide

C13H22F2N2O3S — CID 138046916

IUPAC3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)CC(F)(F)CC2CC2)C1=O
InChIInChI=1S/C13H22F2N2O3S/c1-9(2)17-6-5-11(12(17)18)16-21(19,20)8-13(14,15)7-10-3-4-10/h9-11,16H,3-8H2,1-2H3
InChIKeyRSKQZCHTDQKSLN-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.35
Rot. Bonds7

About 3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide

3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide (PubChem CID 138046916) has the molecular formula C13H22F2N2O3S and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide
PubChem CID138046916
Molecular FormulaC13H22F2N2O3S
Molecular Weight324.39 g/mol
Exact Mass324.13
IUPAC Name3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)CC(F)(F)CC2CC2)C1=O
InChIInChI=1S/C13H22F2N2O3S/c1-9(2)17-6-5-11(12(17)18)16-21(19,20)8-13(14,15)7-10-3-4-10/h9-11,16H,3-8H2,1-2H3
InChIKeyRSKQZCHTDQKSLN-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 128585607
1-cyclopentyl-N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 164640214
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-fluorocyclohexane-1-sulfonamide
CID 140917573
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide
CID 45200775
(4R)-4-amino-N,N-diethyl-1-[(3,3,3-trifluoropropyl)sulfonyl]-L-prolinamide
CID 56716882
(4S)-4-amino-N,N-diethyl-1-[(3,3,3-trifluoropropyl)sulfonyl]-L-prolinamide
CID 56755579
2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60939611
N-[(3R*,4S*)-4-cyclopropyl-1-(4,4,4-trifluorobutanoyl)-3-pyrrolidinyl]methanesulfonamide
CID 72878479
N-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide
CID 128568200
N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 133109514
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide
CID 136531517
2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
CID 138046943

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide (CID 138046916) is 3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide is CC(C)N1CCC(NS(=O)(=O)CC(F)(F)CC2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide?
The InChIKey is RSKQZCHTDQKSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O3S/c1-9(2)17-6-5-11(12(17)18)16-21(19,20)8-13(14,15)7-10-3-4-10/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide?
3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide has a molecular weight of 324.39 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2,2-difluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 138046916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).