ethyl 2-thiomorpholin-4-ylpentanoate

C11H21NO2S — CID 78964920

IUPACethyl 2-thiomorpholin-4-ylpentanoate
SMILESCCCC(C(=O)OCC)N1CCSCC1
InChIInChI=1S/C11H21NO2S/c1-3-5-10(11(13)14-4-2)12-6-8-15-9-7-12/h10H,3-9H2,1-2H3
InChIKeyWGMXMCRUIFQOMJ-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.77
Rot. Bonds5

About ethyl 2-thiomorpholin-4-ylpentanoate

ethyl 2-thiomorpholin-4-ylpentanoate (PubChem CID 78964920) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is ethyl 2-thiomorpholin-4-ylpentanoate.

Molecular Properties

Compound Nameethyl 2-thiomorpholin-4-ylpentanoate
PubChem CID78964920
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Nameethyl 2-thiomorpholin-4-ylpentanoate
SMILESCCCC(C(=O)OCC)N1CCSCC1
InChIInChI=1S/C11H21NO2S/c1-3-5-10(11(13)14-4-2)12-6-8-15-9-7-12/h10H,3-9H2,1-2H3
InChIKeyWGMXMCRUIFQOMJ-UHFFFAOYSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.77
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-ylpentanoate?
The IUPAC name of ethyl 2-thiomorpholin-4-ylpentanoate (CID 78964920) is ethyl 2-thiomorpholin-4-ylpentanoate.
What is the SMILES notation for ethyl 2-thiomorpholin-4-ylpentanoate?
The canonical SMILES for ethyl 2-thiomorpholin-4-ylpentanoate is CCCC(C(=O)OCC)N1CCSCC1.
What is the InChIKey of ethyl 2-thiomorpholin-4-ylpentanoate?
The InChIKey is WGMXMCRUIFQOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-3-5-10(11(13)14-4-2)12-6-8-15-9-7-12/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 2-thiomorpholin-4-ylpentanoate?
ethyl 2-thiomorpholin-4-ylpentanoate has a molecular weight of 231.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiomorpholin-4-ylpentanoate is sourced from PubChem (CID 78964920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).