1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C12H24FNO4SSi — CID 168713516

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(C)(C)[Si](C)(C)OCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C12H24FNO4SSi/c1-12(2,3)20(4,5)18-7-6-14-9-10(8-11(14)15)19(13,16)17/h10H,6-9H2,1-5H3
InChIKeyIOPHXLOSYADFMQ-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.91
Rot. Bonds5

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713516) has the molecular formula C12H24FNO4SSi and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713516
Molecular FormulaC12H24FNO4SSi
Molecular Weight325.48 g/mol
Exact Mass325.12
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(C)(C)[Si](C)(C)OCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C12H24FNO4SSi/c1-12(2,3)20(4,5)18-7-6-14-9-10(8-11(14)15)19(13,16)17/h10H,6-9H2,1-5H3
InChIKeyIOPHXLOSYADFMQ-UHFFFAOYSA-N
XLogP1.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714021
1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713447
1-[2-(2-hydroxyethoxy)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714855
S-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168704681
1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713569
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 58604092
1-[3-(4-fluorophenoxy)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714825
1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713449
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713827
1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711430
[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 70435747
1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714573

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713516) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is CC(C)(C)[Si](C)(C)OCCN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is IOPHXLOSYADFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO4SSi/c1-12(2,3)20(4,5)18-7-6-14-9-10(8-11(14)15)19(13,16)17/h10H,6-9H2,1-5H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 325.48 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).