methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate

C8H15NO6S — CID 61457245

IUPACmethyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
SMILESCCOC(=O)CS(=O)(=O)NCCC(=O)OC
InChIInChI=1S/C8H15NO6S/c1-3-15-8(11)6-16(12,13)9-5-4-7(10)14-2/h9H,3-6H2,1-2H3
InChIKeyWSLYCLIPOQBIPZ-UHFFFAOYSA-N
MW253.28 g/mol
LogP-0.97
Rot. Bonds7

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

methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate (PubChem CID 61457245) has the molecular formula C8H15NO6S and a molecular weight of 253.28 g/mol. Its IUPAC name is methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
PubChem CID61457245
Molecular FormulaC8H15NO6S
Molecular Weight253.28 g/mol
Exact Mass253.06
IUPAC Namemethyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
SMILESCCOC(=O)CS(=O)(=O)NCCC(=O)OC
InChIInChI=1S/C8H15NO6S/c1-3-15-8(11)6-16(12,13)9-5-4-7(10)14-2/h9H,3-6H2,1-2H3
InChIKeyWSLYCLIPOQBIPZ-UHFFFAOYSA-N
XLogP-0.97
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-methoxyethylsulfamoyl)acetate
CID 62544965
ethyl 3-(chloromethylsulfonylamino)propanoate
CID 63664767
ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate
CID 61457286
(2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid
CID 107835309
methyl 6-[(3-ethoxy-3-oxopropyl)sulfonylamino]hexanoate
CID 61459374
4-O-ethyl 1-O-methyl butanedioate
CID 522068
methyl 3-(2-methylpropylsulfonylamino)propanoate
CID 62733313
ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
CID 114383986
methyl 3-(cyclopropylmethylsulfonylamino)propanoate
CID 64989493
ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate
CID 66108874
methyl 2-(5-hydroxypentylsulfamoyl)acetate
CID 107319424
methyl 3-(diethylsulfamoylamino)propanoate
CID 60713707

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate (CID 61457245) is methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate is CCOC(=O)CS(=O)(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate?
The InChIKey is WSLYCLIPOQBIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6S/c1-3-15-8(11)6-16(12,13)9-5-4-7(10)14-2/h9H,3-6H2,1-2H3.
What are the key properties of methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate?
methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate has a molecular weight of 253.28 g/mol, XLogP of -0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate is sourced from PubChem (CID 61457245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).