ethyl 2-thiomorpholin-4-ylacetate

C8H15NO2S — CID 25220823

IUPACethyl 2-thiomorpholin-4-ylacetate
SMILESCCOC(=O)CN1CCSCC1
InChIInChI=1S/C8H15NO2S/c1-2-11-8(10)7-9-3-5-12-6-4-9/h2-7H2,1H3
InChIKeyOIOSZBXAWCXWPL-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.60
Rot. Bonds3

About ethyl 2-thiomorpholin-4-ylacetate

ethyl 2-thiomorpholin-4-ylacetate (PubChem CID 25220823) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is ethyl 2-thiomorpholin-4-ylacetate.

Molecular Properties

Compound Nameethyl 2-thiomorpholin-4-ylacetate
PubChem CID25220823
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Nameethyl 2-thiomorpholin-4-ylacetate
SMILESCCOC(=O)CN1CCSCC1
InChIInChI=1S/C8H15NO2S/c1-2-11-8(10)7-9-3-5-12-6-4-9/h2-7H2,1H3
InChIKeyOIOSZBXAWCXWPL-UHFFFAOYSA-N
XLogP0.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiomorpholin-4-ylacetate?
The IUPAC name of ethyl 2-thiomorpholin-4-ylacetate (CID 25220823) is ethyl 2-thiomorpholin-4-ylacetate.
What is the SMILES notation for ethyl 2-thiomorpholin-4-ylacetate?
The canonical SMILES for ethyl 2-thiomorpholin-4-ylacetate is CCOC(=O)CN1CCSCC1.
What is the InChIKey of ethyl 2-thiomorpholin-4-ylacetate?
The InChIKey is OIOSZBXAWCXWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-2-11-8(10)7-9-3-5-12-6-4-9/h2-7H2,1H3.
What are the key properties of ethyl 2-thiomorpholin-4-ylacetate?
ethyl 2-thiomorpholin-4-ylacetate has a molecular weight of 189.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiomorpholin-4-ylacetate is sourced from PubChem (CID 25220823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).