O-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate

C14H25NO4S2Si — CID 11428478

IUPACO-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate
SMILESCCOC(=S)SC(CCC(=O)N1CCOC1=O)C[Si](C)(C)C
InChIInChI=1S/C14H25NO4S2Si/c1-5-18-14(20)21-11(10-22(2,3)4)6-7-12(16)15-8-9-19-13(15)17/h11H,5-10H2,1-4H3
InChIKeyONDBKBABGICDPB-UHFFFAOYSA-N
MW363.58 g/mol
LogP3.51
Rot. Bonds7

About O-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate

O-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate (PubChem CID 11428478) has the molecular formula C14H25NO4S2Si and a molecular weight of 363.58 g/mol. Its IUPAC name is O-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate.

Molecular Properties

Compound NameO-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate
PubChem CID11428478
Molecular FormulaC14H25NO4S2Si
Molecular Weight363.58 g/mol
Exact Mass363.10
IUPAC NameO-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate
SMILESCCOC(=S)SC(CCC(=O)N1CCOC1=O)C[Si](C)(C)C
InChIInChI=1S/C14H25NO4S2Si/c1-5-18-14(20)21-11(10-22(2,3)4)6-7-12(16)15-8-9-19-13(15)17/h11H,5-10H2,1-4H3
InChIKeyONDBKBABGICDPB-UHFFFAOYSA-N
XLogP3.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.58
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate?
The IUPAC name of O-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate (CID 11428478) is O-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate.
What is the SMILES notation for O-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate?
The canonical SMILES for O-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate is CCOC(=S)SC(CCC(=O)N1CCOC1=O)C[Si](C)(C)C.
What is the InChIKey of O-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate?
The InChIKey is ONDBKBABGICDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S2Si/c1-5-18-14(20)21-11(10-22(2,3)4)6-7-12(16)15-8-9-19-13(15)17/h11H,5-10H2,1-4H3.
What are the key properties of O-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate?
O-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate has a molecular weight of 363.58 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl [5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate is sourced from PubChem (CID 11428478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).