S-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate

C14H27NO4SSi — CID 87181141

IUPACS-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate
SMILESCC(=O)SCCN1C(=O)OC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NO4SSi/c1-11(16)20-8-7-15-12(9-18-13(15)17)10-19-21(5,6)14(2,3)4/h12H,7-10H2,1-6H3/t12-/m1/s1
InChIKeyICNBJCWDLJEERC-GFCCVEGCSA-N
MW333.53 g/mol
LogP3.11
Rot. Bonds6

About S-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate

S-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate (PubChem CID 87181141) has the molecular formula C14H27NO4SSi and a molecular weight of 333.53 g/mol. Its IUPAC name is S-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate.

Molecular Properties

Compound NameS-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate
PubChem CID87181141
Molecular FormulaC14H27NO4SSi
Molecular Weight333.53 g/mol
Exact Mass333.14
IUPAC NameS-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate
SMILESCC(=O)SCCN1C(=O)OC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NO4SSi/c1-11(16)20-8-7-15-12(9-18-13(15)17)10-19-21(5,6)14(2,3)4/h12H,7-10H2,1-6H3/t12-/m1/s1
InChIKeyICNBJCWDLJEERC-GFCCVEGCSA-N
XLogP3.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.53
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze S-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate with MolForge

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Related Compounds

3-[(3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one
CID 134999988
butyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate
CID 69236208
Butyl 4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate
CID 77633344
O-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate
CID 91143439
3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one
CID 42604601

Frequently Asked Questions

What is the IUPAC name of S-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate?
The IUPAC name of S-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate (CID 87181141) is S-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate.
What is the SMILES notation for S-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate?
The canonical SMILES for S-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate is CC(=O)SCCN1C(=O)OC[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of S-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate?
The InChIKey is ICNBJCWDLJEERC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H27NO4SSi/c1-11(16)20-8-7-15-12(9-18-13(15)17)10-19-21(5,6)14(2,3)4/h12H,7-10H2,1-6H3/t12-/m1/s1.
What are the key properties of S-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate?
S-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate has a molecular weight of 333.53 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate is sourced from PubChem (CID 87181141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).