ethyl 2-sulfamoylacetate;hydrochloride

C4H10ClNO4S — CID 141070961

IUPACethyl 2-sulfamoylacetate;hydrochloride
SMILESCCOC(=O)CS(N)(=O)=O.Cl
InChIInChI=1S/C4H9NO4S.ClH/c1-2-9-4(6)3-10(5,7)8;/h2-3H2,1H3,(H2,5,7,8);1H
InChIKeyZRNBFBHHOMCEDQ-UHFFFAOYSA-N
MW203.65 g/mol
LogP-0.74
Rot. Bonds3

About ethyl 2-sulfamoylacetate;hydrochloride

ethyl 2-sulfamoylacetate;hydrochloride (PubChem CID 141070961) has the molecular formula C4H10ClNO4S and a molecular weight of 203.65 g/mol. Its IUPAC name is ethyl 2-sulfamoylacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-sulfamoylacetate;hydrochloride
PubChem CID141070961
Molecular FormulaC4H10ClNO4S
Molecular Weight203.65 g/mol
Exact Mass203.00
IUPAC Nameethyl 2-sulfamoylacetate;hydrochloride
SMILESCCOC(=O)CS(N)(=O)=O.Cl
InChIInChI=1S/C4H9NO4S.ClH/c1-2-9-4(6)3-10(5,7)8;/h2-3H2,1H3,(H2,5,7,8);1H
InChIKeyZRNBFBHHOMCEDQ-UHFFFAOYSA-N
XLogP-0.74
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-sulfamoylacetate;hydrochloride?
The IUPAC name of ethyl 2-sulfamoylacetate;hydrochloride (CID 141070961) is ethyl 2-sulfamoylacetate;hydrochloride.
What is the SMILES notation for ethyl 2-sulfamoylacetate;hydrochloride?
The canonical SMILES for ethyl 2-sulfamoylacetate;hydrochloride is CCOC(=O)CS(N)(=O)=O.Cl.
What is the InChIKey of ethyl 2-sulfamoylacetate;hydrochloride?
The InChIKey is ZRNBFBHHOMCEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S.ClH/c1-2-9-4(6)3-10(5,7)8;/h2-3H2,1H3,(H2,5,7,8);1H.
What are the key properties of ethyl 2-sulfamoylacetate;hydrochloride?
ethyl 2-sulfamoylacetate;hydrochloride has a molecular weight of 203.65 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-sulfamoylacetate;hydrochloride is sourced from PubChem (CID 141070961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).