ethyl 2-(2-methoxyethylsulfamoyl)acetate

C7H15NO5S — CID 62544965

IUPACethyl 2-(2-methoxyethylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NCCOC
InChIInChI=1S/C7H15NO5S/c1-3-13-7(9)6-14(10,11)8-4-5-12-2/h8H,3-6H2,1-2H3
InChIKeyRRIRJIRLRSOHAS-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.88
Rot. Bonds7

About ethyl 2-(2-methoxyethylsulfamoyl)acetate

ethyl 2-(2-methoxyethylsulfamoyl)acetate (PubChem CID 62544965) has the molecular formula C7H15NO5S and a molecular weight of 225.27 g/mol. Its IUPAC name is ethyl 2-(2-methoxyethylsulfamoyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyethylsulfamoyl)acetate
PubChem CID62544965
Molecular FormulaC7H15NO5S
Molecular Weight225.27 g/mol
Exact Mass225.07
IUPAC Nameethyl 2-(2-methoxyethylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NCCOC
InChIInChI=1S/C7H15NO5S/c1-3-13-7(9)6-14(10,11)8-4-5-12-2/h8H,3-6H2,1-2H3
InChIKeyRRIRJIRLRSOHAS-UHFFFAOYSA-N
XLogP-0.88
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate
CID 61457286
(2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid
CID 107835309
ethyl 2-[2-methoxyethylsulfamoyl(propyl)amino]acetate
CID 114816314
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338
ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
CID 114383986
ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate
CID 66108874
ethyl 3-(chloromethylsulfonylamino)propanoate
CID 63664767
ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate
CID 54952527
1-bromo-N-(2-methoxyethyl)methanesulfonamide
CID 83093001
2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid
CID 79457741
ethyl 2-sulfamoylacetate;hydrochloride
CID 141070961

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyethylsulfamoyl)acetate?
The IUPAC name of ethyl 2-(2-methoxyethylsulfamoyl)acetate (CID 62544965) is ethyl 2-(2-methoxyethylsulfamoyl)acetate.
What is the SMILES notation for ethyl 2-(2-methoxyethylsulfamoyl)acetate?
The canonical SMILES for ethyl 2-(2-methoxyethylsulfamoyl)acetate is CCOC(=O)CS(=O)(=O)NCCOC.
What is the InChIKey of ethyl 2-(2-methoxyethylsulfamoyl)acetate?
The InChIKey is RRIRJIRLRSOHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5S/c1-3-13-7(9)6-14(10,11)8-4-5-12-2/h8H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(2-methoxyethylsulfamoyl)acetate?
ethyl 2-(2-methoxyethylsulfamoyl)acetate has a molecular weight of 225.27 g/mol, XLogP of -0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyethylsulfamoyl)acetate is sourced from PubChem (CID 62544965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).