N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide

C11H23FN2O2S — CID 121274615

IUPACN-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
SMILESCCC(C)N1CC(F)CC1CN(C)S(C)(=O)=O
InChIInChI=1S/C11H23FN2O2S/c1-5-9(2)14-7-10(12)6-11(14)8-13(3)17(4,15)16/h9-11H,5-8H2,1-4H3
InChIKeyXBCJGYBMLFHBHT-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.09
Rot. Bonds5

About N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide

N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide (PubChem CID 121274615) has the molecular formula C11H23FN2O2S and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
PubChem CID121274615
Molecular FormulaC11H23FN2O2S
Molecular Weight266.38 g/mol
Exact Mass266.15
IUPAC NameN-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
SMILESCCC(C)N1CC(F)CC1CN(C)S(C)(=O)=O
InChIInChI=1S/C11H23FN2O2S/c1-5-9(2)14-7-10(12)6-11(14)8-13(3)17(4,15)16/h9-11H,5-8H2,1-4H3
InChIKeyXBCJGYBMLFHBHT-UHFFFAOYSA-N
XLogP1.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 51359860
N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 51360716
N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yl)-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide
CID 70799734
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide
CID 70939926
N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
CID 70939942
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide
CID 70939962
N-ethyl-N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 89901762
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide
CID 118241809
N-[[4-fluoro-1-(3-methylsulfanylbutan-2-yl)pyrrolidin-2-yl]methyl]-N-propan-2-ylmethanesulfonamide
CID 153079531
N-[1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide
CID 75431503
N-[(3R)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide
CID 97239883
N-[(3S)-1-(5,5,5-trifluoropentyl)pyrrolidin-3-yl]methanesulfonamide
CID 97239884

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide (CID 121274615) is N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide is CCC(C)N1CC(F)CC1CN(C)S(C)(=O)=O.
What is the InChIKey of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide?
The InChIKey is XBCJGYBMLFHBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O2S/c1-5-9(2)14-7-10(12)6-11(14)8-13(3)17(4,15)16/h9-11H,5-8H2,1-4H3.
What are the key properties of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide?
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide has a molecular weight of 266.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 121274615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).