ethyl 2-[methoxy(methyl)sulfamoyl]acetate

C6H13NO5S — CID 64591182

IUPACethyl 2-[methoxy(methyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N(C)OC
InChIInChI=1S/C6H13NO5S/c1-4-12-6(8)5-13(9,10)7(2)11-3/h4-5H2,1-3H3
InChIKeyXQMJBTURQGVXNA-UHFFFAOYSA-N
MW211.24 g/mol
LogP-0.63
Rot. Bonds5

About ethyl 2-[methoxy(methyl)sulfamoyl]acetate

ethyl 2-[methoxy(methyl)sulfamoyl]acetate (PubChem CID 64591182) has the molecular formula C6H13NO5S and a molecular weight of 211.24 g/mol. Its IUPAC name is ethyl 2-[methoxy(methyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[methoxy(methyl)sulfamoyl]acetate
PubChem CID64591182
Molecular FormulaC6H13NO5S
Molecular Weight211.24 g/mol
Exact Mass211.05
IUPAC Nameethyl 2-[methoxy(methyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N(C)OC
InChIInChI=1S/C6H13NO5S/c1-4-12-6(8)5-13(9,10)7(2)11-3/h4-5H2,1-3H3
InChIKeyXQMJBTURQGVXNA-UHFFFAOYSA-N
XLogP-0.63
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methoxy(methyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[methoxy(methyl)sulfamoyl]acetate (CID 64591182) is ethyl 2-[methoxy(methyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[methoxy(methyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[methoxy(methyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)N(C)OC.
What is the InChIKey of ethyl 2-[methoxy(methyl)sulfamoyl]acetate?
The InChIKey is XQMJBTURQGVXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5S/c1-4-12-6(8)5-13(9,10)7(2)11-3/h4-5H2,1-3H3.
What are the key properties of ethyl 2-[methoxy(methyl)sulfamoyl]acetate?
ethyl 2-[methoxy(methyl)sulfamoyl]acetate has a molecular weight of 211.24 g/mol, XLogP of -0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methoxy(methyl)sulfamoyl]acetate is sourced from PubChem (CID 64591182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).