2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate

C14H30NO5PSSi — CID 176598793

IUPAC2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate
SMILESCCOP(=O)(CSC1CN(C(=O)OCC[Si](C)(C)C)C1)OCC
InChIInChI=1S/C14H30NO5PSSi/c1-6-19-21(17,20-7-2)12-22-13-10-15(11-13)14(16)18-8-9-23(3,4)5/h13H,6-12H2,1-5H3
InChIKeyMHZRLGBMVAVIJT-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.10
Rot. Bonds10

About 2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate

2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate (PubChem CID 176598793) has the molecular formula C14H30NO5PSSi and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate
PubChem CID176598793
Molecular FormulaC14H30NO5PSSi
Molecular Weight383.52 g/mol
Exact Mass383.14
IUPAC Name2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate
SMILESCCOP(=O)(CSC1CN(C(=O)OCC[Si](C)(C)C)C1)OCC
InChIInChI=1S/C14H30NO5PSSi/c1-6-19-21(17,20-7-2)12-22-13-10-15(11-13)14(16)18-8-9-23(3,4)5/h13H,6-12H2,1-5H3
InChIKeyMHZRLGBMVAVIJT-UHFFFAOYSA-N
XLogP4.10
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate 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

2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate
CID 22238408
2-trimethylsilylethyl (E)-4-diethoxyphosphorylbut-2-enoate
CID 11001810
2-trimethylsilylethyl 3-pyridin-4-yloxyazetidine-1-carboxylate
CID 169000229
2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate
CID 164554342
ethyl 4-[(2S)-2-amino-4-diethoxyphosphorylbutanoyl]piperazine-1-carboxylate
CID 87456486
2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 66621710
2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate
CID 91377049
2-trimethylsilylethyl 5-formyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 54392133
3-(propylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid
CID 132594141
butyl 3-aminoazetidine-1-carboxylate
CID 68600726
(2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 91462147
2-trimethylsilylethyl (1R,2R,5S)-2-but-3-enyl-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 174148739

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate (CID 176598793) is 2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate is CCOP(=O)(CSC1CN(C(=O)OCC[Si](C)(C)C)C1)OCC.
What is the InChIKey of 2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate?
The InChIKey is MHZRLGBMVAVIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO5PSSi/c1-6-19-21(17,20-7-2)12-22-13-10-15(11-13)14(16)18-8-9-23(3,4)5/h13H,6-12H2,1-5H3.
What are the key properties of 2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate?
2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate has a molecular weight of 383.52 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 3-(diethoxyphosphorylmethylsulfanyl)azetidine-1-carboxylate is sourced from PubChem (CID 176598793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).