3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one

C12H25NO4SSi — CID 14486195

IUPAC3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one
SMILESCC(O[Si](C)(C)C(C)(C)C)C1C(=O)NC1S(C)(=O)=O
InChIInChI=1S/C12H25NO4SSi/c1-8(17-19(6,7)12(2,3)4)9-10(14)13-11(9)18(5,15)16/h8-9,11H,1-7H3,(H,13,14)
InChIKeyJWVYCZMIMAQARB-UHFFFAOYSA-N
MW307.49 g/mol
LogP1.51
Rot. Bonds4

About 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one

3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one (PubChem CID 14486195) has the molecular formula C12H25NO4SSi and a molecular weight of 307.49 g/mol. Its IUPAC name is 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one.

Molecular Properties

Compound Name3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one
PubChem CID14486195
Molecular FormulaC12H25NO4SSi
Molecular Weight307.49 g/mol
Exact Mass307.13
IUPAC Name3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one
SMILESCC(O[Si](C)(C)C(C)(C)C)C1C(=O)NC1S(C)(=O)=O
InChIInChI=1S/C12H25NO4SSi/c1-8(17-19(6,7)12(2,3)4)9-10(14)13-11(9)18(5,15)16/h8-9,11H,1-7H3,(H,13,14)
InChIKeyJWVYCZMIMAQARB-UHFFFAOYSA-N
XLogP1.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tert-butylsulfonylazetidin-2-one
CID 67931664
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(iodomethyl)azetidin-2-one
CID 13073914
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one
CID 10709586
(3S,4S)-4-acetyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 13488756
methyl (2R,3S)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carboxylate
CID 13073908
[(2R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 123285270
[(2R,3R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate
CID 67642904
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4,4-dimethylpenta-1,2-dien-3-yl)azetidin-2-one
CID 101437017
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-methylprop-2-enyl)azetidin-2-one
CID 100963871
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4,4-dimethylpent-1-yn-3-yl)azetidin-2-one
CID 101437016
methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
CID 14395942
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R,3R)-3-methoxy-2-oxocyclohexyl]azetidin-2-one
CID 100993255

Frequently Asked Questions

What is the IUPAC name of 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one?
The IUPAC name of 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one (CID 14486195) is 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one.
What is the SMILES notation for 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one?
The canonical SMILES for 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one is CC(O[Si](C)(C)C(C)(C)C)C1C(=O)NC1S(C)(=O)=O.
What is the InChIKey of 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one?
The InChIKey is JWVYCZMIMAQARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4SSi/c1-8(17-19(6,7)12(2,3)4)9-10(14)13-11(9)18(5,15)16/h8-9,11H,1-7H3,(H,13,14).
What are the key properties of 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one?
3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one has a molecular weight of 307.49 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one is sourced from PubChem (CID 14486195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).