1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C10H20FNO5SSi — CID 168714021

IUPAC1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCO[Si](C)(CCCN1CC(S(=O)(=O)F)CC1=O)OC
InChIInChI=1S/C10H20FNO5SSi/c1-16-19(3,17-2)6-4-5-12-8-9(7-10(12)13)18(11,14)15/h9H,4-8H2,1-3H3
InChIKeyDJHBHGBRBMMERP-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.64
Rot. Bonds7

About 1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714021) has the molecular formula C10H20FNO5SSi and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714021
Molecular FormulaC10H20FNO5SSi
Molecular Weight313.42 g/mol
Exact Mass313.08
IUPAC Name1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCO[Si](C)(CCCN1CC(S(=O)(=O)F)CC1=O)OC
InChIInChI=1S/C10H20FNO5SSi/c1-16-19(3,17-2)6-4-5-12-8-9(7-10(12)13)18(11,14)15/h9H,4-8H2,1-3H3
InChIKeyDJHBHGBRBMMERP-UHFFFAOYSA-N
XLogP0.64
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714823
5-oxo-1-(3-trimethoxysilylpropyl)pyrrolidine-3-sulfonamide
CID 168717350
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713516
7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168714799
1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713569
1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713447
1-[3-(4-fluorophenoxy)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714825
1-[2-(2-hydroxyethoxy)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714855
1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711428
5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714934
1-[2-[3-(2-aminoethylamino)propylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714844
(2S)-6-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 168713093

Frequently Asked Questions

What is the IUPAC name of 1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714021) is 1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride is CO[Si](C)(CCCN1CC(S(=O)(=O)F)CC1=O)OC.
What is the InChIKey of 1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is DJHBHGBRBMMERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO5SSi/c1-16-19(3,17-2)6-4-5-12-8-9(7-10(12)13)18(11,14)15/h9H,4-8H2,1-3H3.
What are the key properties of 1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 313.42 g/mol, XLogP of 0.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).