ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate

C11H19NO4S — CID 60737192

IUPACethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate
SMILESCCOCC(=O)N1CCSCC1C(=O)OCC
InChIInChI=1S/C11H19NO4S/c1-3-15-7-10(13)12-5-6-17-8-9(12)11(14)16-4-2/h9H,3-8H2,1-2H3
InChIKeyKNKJVDLQLCTAKY-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.53
Rot. Bonds5

About ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate

ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate (PubChem CID 60737192) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate
PubChem CID60737192
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Nameethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate
SMILESCCOCC(=O)N1CCSCC1C(=O)OCC
InChIInChI=1S/C11H19NO4S/c1-3-15-7-10(13)12-5-6-17-8-9(12)11(14)16-4-2/h9H,3-8H2,1-2H3
InChIKeyKNKJVDLQLCTAKY-UHFFFAOYSA-N
XLogP0.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-propan-2-yloxyacetyl)thiomorpholine-3-carboxylate
CID 112686997
ethyl 4-(2-chloroacetyl)thiomorpholine-3-carboxylate
CID 60719108
ethyl 4-acetylthiomorpholine-3-carboxylate
CID 60718017
ethyl 4-[2-(2,2,2-trifluoroethylamino)acetyl]thiomorpholine-3-carboxylate
CID 78957893
4-(4-ethoxy-4-oxobutanoyl)thiomorpholine-3-carboxylic acid
CID 82900928
ethyl 4-(3-amino-2,2-dimethylpropanoyl)thiomorpholine-3-carboxylate
CID 115426380
ethyl 4-(3-chloro-2-methylpropanoyl)thiomorpholine-3-carboxylate
CID 55110480
ethyl 4-(2-amino-3,3-dimethylbutanoyl)thiomorpholine-3-carboxylate
CID 76895081
ethyl 4-[(2S)-2-amino-3,3-dimethylbutanoyl]thiomorpholine-3-carboxylate
CID 61165038
ethyl 4-[(2S,3S)-2-amino-3-methylpentanoyl]thiomorpholine-3-carboxylate
CID 61164847
ethyl 4-[2-(methylamino)propanoyl]thiomorpholine-3-carboxylate
CID 62637315
ethyl 4-(4-aminooxane-4-carbonyl)thiomorpholine-3-carboxylate
CID 115294209

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate (CID 60737192) is ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate is CCOCC(=O)N1CCSCC1C(=O)OCC.
What is the InChIKey of ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate?
The InChIKey is KNKJVDLQLCTAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-3-15-7-10(13)12-5-6-17-8-9(12)11(14)16-4-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate?
ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate has a molecular weight of 261.34 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate is sourced from PubChem (CID 60737192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).