methyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate

C10H19NO6S — CID 54951956

IUPACmethyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate
SMILESCCOC(=O)CS(=O)(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C10H19NO6S/c1-4-11(7-6-9(12)16-3)18(14,15)8-10(13)17-5-2/h4-8H2,1-3H3
InChIKeyOWBIBJLYSSAXRW-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.24
Rot. Bonds8

About methyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate

methyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate (PubChem CID 54951956) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate
PubChem CID54951956
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Namemethyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate
SMILESCCOC(=O)CS(=O)(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C10H19NO6S/c1-4-11(7-6-9(12)16-3)18(14,15)8-10(13)17-5-2/h4-8H2,1-3H3
InChIKeyOWBIBJLYSSAXRW-UHFFFAOYSA-N
XLogP-0.24
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate?
The IUPAC name of methyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate (CID 54951956) is methyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate is CCOC(=O)CS(=O)(=O)N(CC)CCC(=O)OC.
What is the InChIKey of methyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate?
The InChIKey is OWBIBJLYSSAXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-4-11(7-6-9(12)16-3)18(14,15)8-10(13)17-5-2/h4-8H2,1-3H3.
What are the key properties of methyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate?
methyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate has a molecular weight of 281.33 g/mol, XLogP of -0.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate is sourced from PubChem (CID 54951956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).