3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one

C7H13NO2S — CID 130297937

IUPAC3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one
SMILESCCSCCN1CCOC1=O
InChIInChI=1S/C7H13NO2S/c1-2-11-6-4-8-3-5-10-7(8)9/h2-6H2,1H3
InChIKeyJQJHQIQOMIDPIR-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds4

About 3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one

3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one (PubChem CID 130297937) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one
PubChem CID130297937
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one
SMILESCCSCCN1CCOC1=O
InChIInChI=1S/C7H13NO2S/c1-2-11-6-4-8-3-5-10-7(8)9/h2-6H2,1H3
InChIKeyJQJHQIQOMIDPIR-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one (CID 130297937) is 3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one is CCSCCN1CCOC1=O.
What is the InChIKey of 3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one?
The InChIKey is JQJHQIQOMIDPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-11-6-4-8-3-5-10-7(8)9/h2-6H2,1H3.
What are the key properties of 3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one?
3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one has a molecular weight of 175.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130297937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).