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

C9H16FNO3S — CID 168713447

IUPAC1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(C)(C)CN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H16FNO3S/c1-9(2,3)6-11-5-7(4-8(11)12)15(10,13)14/h7H,4-6H2,1-3H3
InChIKeyJTFABEHNPZEEKL-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.93
Rot. Bonds2

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

1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713447) has the molecular formula C9H16FNO3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713447
Molecular FormulaC9H16FNO3S
Molecular Weight237.30 g/mol
Exact Mass237.08
IUPAC Name1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(C)(C)CN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H16FNO3S/c1-9(2,3)6-11-5-7(4-8(11)12)15(10,13)14/h7H,4-6H2,1-3H3
InChIKeyJTFABEHNPZEEKL-UHFFFAOYSA-N
XLogP0.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713544
1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713449
1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713837
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713516
1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714823
1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713569
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
tert-butyl N-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)ethyl]-N-propylcarbamate
CID 168713683
7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168714799
1-[2-(2-hydroxyethoxy)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714855
5-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168714851

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713447) is 1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride is CC(C)(C)CN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is JTFABEHNPZEEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3S/c1-9(2,3)6-11-5-7(4-8(11)12)15(10,13)14/h7H,4-6H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 237.30 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).