1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C11H21FN2O3S — CID 168713544

IUPAC1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCN(C)CC(C)(C)CN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C11H21FN2O3S/c1-11(2,7-13(3)4)8-14-6-9(5-10(14)15)18(12,16)17/h9H,5-8H2,1-4H3
InChIKeyMVJHZSSJJKUDMG-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.47
Rot. Bonds5

About 1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713544) has the molecular formula C11H21FN2O3S and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713544
Molecular FormulaC11H21FN2O3S
Molecular Weight280.36 g/mol
Exact Mass280.13
IUPAC Name1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCN(C)CC(C)(C)CN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C11H21FN2O3S/c1-11(2,7-13(3)4)8-14-6-9(5-10(14)15)18(12,16)17/h9H,5-8H2,1-4H3
InChIKeyMVJHZSSJJKUDMG-UHFFFAOYSA-N
XLogP0.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713447
1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713837
1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713569
S-[[1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666302
1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713449
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713516
1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714823
tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate
CID 168713683
1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714021
1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714573
7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168714799
1-[2-(2-hydroxyethoxy)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714855

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713544) is 1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride is CN(C)CC(C)(C)CN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is MVJHZSSJJKUDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O3S/c1-11(2,7-13(3)4)8-14-6-9(5-10(14)15)18(12,16)17/h9H,5-8H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 280.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).