N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide

C8H13F3N2O3S — CID 136526294

IUPACN-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O3S/c1-17(15,16)12-6-2-3-13(5-6)7(14)4-8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyMONXRFWVVMFJIW-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.09
Rot. Bonds3

About N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide

N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 136526294) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID136526294
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC NameN-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O3S/c1-17(15,16)12-6-2-3-13(5-6)7(14)4-8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyMONXRFWVVMFJIW-UHFFFAOYSA-N
XLogP0.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
CID 118073718
N-[[(2S)-1-[(3S)-3-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butyl]pyrrolidin-2-yl]methyl]methanesulfonamide
CID 142695645
1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 170194122
3,3-Difluoro-4-(methanesulfonamido)pyrrolidine-1-carboxamide
CID 177772560
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide
CID 45200775
2-[Difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide
CID 60805356
2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106336369
2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115589021
1,1,1-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
CID 117063799
N-(3-amino-2,2-difluoropropyl)-2-(methanesulfonamido)propanamide
CID 120410874
N-[(3R)-4,4-difluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 125501464
1,1-difluoro-N-(5-oxopyrrolidin-3-yl)methanesulfonamide
CID 130714969

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide (CID 136526294) is N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)CC(F)(F)F)C1.
What is the InChIKey of N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is MONXRFWVVMFJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c1-17(15,16)12-6-2-3-13(5-6)7(14)4-8(9,10)11/h6,12H,2-5H2,1H3.
What are the key properties of N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide?
N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 274.26 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 136526294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).