ethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate

C11H21NO5S — CID 59634316

IUPACethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C11H21NO5S/c1-4-17-10(13)11(2,3)18(14,15)12-9-5-7-16-8-6-9/h9,12H,4-8H2,1-3H3
InChIKeyYAKTYAAZDYQZQW-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.43
Rot. Bonds5

About ethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate

ethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate (PubChem CID 59634316) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate
PubChem CID59634316
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Nameethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C11H21NO5S/c1-4-17-10(13)11(2,3)18(14,15)12-9-5-7-16-8-6-9/h9,12H,4-8H2,1-3H3
InChIKeyYAKTYAAZDYQZQW-UHFFFAOYSA-N
XLogP0.43
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate (CID 59634316) is ethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate is CCOC(=O)C(C)(C)S(=O)(=O)NC1CCOCC1.
What is the InChIKey of ethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate?
The InChIKey is YAKTYAAZDYQZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-4-17-10(13)11(2,3)18(14,15)12-9-5-7-16-8-6-9/h9,12H,4-8H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate?
ethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate has a molecular weight of 279.36 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(oxan-4-ylsulfamoyl)propanoate is sourced from PubChem (CID 59634316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).