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

C15H31FN2O2S — CID 70939926

IUPACN-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide
SMILESCCC(C)N1CC(F)CC1CN(C(C)(C)CC)S(C)(=O)=O
InChIInChI=1S/C15H31FN2O2S/c1-7-12(3)17-10-13(16)9-14(17)11-18(21(6,19)20)15(4,5)8-2/h12-14H,7-11H2,1-6H3
InChIKeyRDQFSWPQROOKDX-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.65
Rot. Bonds7

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

N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide (PubChem CID 70939926) has the molecular formula C15H31FN2O2S and a molecular weight of 322.49 g/mol. Its IUPAC name is N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide
PubChem CID70939926
Molecular FormulaC15H31FN2O2S
Molecular Weight322.49 g/mol
Exact Mass322.21
IUPAC NameN-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide
SMILESCCC(C)N1CC(F)CC1CN(C(C)(C)CC)S(C)(=O)=O
InChIInChI=1S/C15H31FN2O2S/c1-7-12(3)17-10-13(16)9-14(17)11-18(21(6,19)20)15(4,5)8-2/h12-14H,7-11H2,1-6H3
InChIKeyRDQFSWPQROOKDX-UHFFFAOYSA-N
XLogP2.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yl)-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide
CID 70799734
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-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
CID 121274615
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 59418403
N-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide
CID 59641761
N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine
CID 59691471
(3R)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine
CID 59691478
(3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine
CID 59691484
(3S)-N-(2,3-dimethylbutan-2-yl)-N-methyl-1-methylsulfonylpyrrolidin-3-amine
CID 68318124

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide (CID 70939926) is N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide is CCC(C)N1CC(F)CC1CN(C(C)(C)CC)S(C)(=O)=O.
What is the InChIKey of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide?
The InChIKey is RDQFSWPQROOKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2O2S/c1-7-12(3)17-10-13(16)9-14(17)11-18(21(6,19)20)15(4,5)8-2/h12-14H,7-11H2,1-6H3.
What are the key properties of N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide?
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-(2-methylbutan-2-yl)methanesulfonamide has a molecular weight of 322.49 g/mol, XLogP of 2.65, 7 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-(2-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 70939926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).