ethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate

C10H19NO5S — CID 59634217

IUPACethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H19NO5S/c1-4-16-9(12)10(2,3)17(13,14)11-5-7-15-8-6-11/h4-8H2,1-3H3
InChIKeyFRLPEWQDAJVYNQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.01
Rot. Bonds4

About ethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate

ethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate (PubChem CID 59634217) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate
PubChem CID59634217
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Nameethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H19NO5S/c1-4-16-9(12)10(2,3)17(13,14)11-5-7-15-8-6-11/h4-8H2,1-3H3
InChIKeyFRLPEWQDAJVYNQ-UHFFFAOYSA-N
XLogP-0.01
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate?
The IUPAC name of ethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate (CID 59634217) is ethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate is CCOC(=O)C(C)(C)S(=O)(=O)N1CCOCC1.
What is the InChIKey of ethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate?
The InChIKey is FRLPEWQDAJVYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-4-16-9(12)10(2,3)17(13,14)11-5-7-15-8-6-11/h4-8H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate?
ethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate has a molecular weight of 265.33 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate is sourced from PubChem (CID 59634217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).