methyl 2-(ethylsulfamoyl)acetate

C5H11NO4S — CID 61357398

IUPACmethyl 2-(ethylsulfamoyl)acetate
SMILESCCNS(=O)(=O)CC(=O)OC
InChIInChI=1S/C5H11NO4S/c1-3-6-11(8,9)4-5(7)10-2/h6H,3-4H2,1-2H3
InChIKeyNBZRJSRKLJQWKI-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.90
Rot. Bonds4

About methyl 2-(ethylsulfamoyl)acetate

methyl 2-(ethylsulfamoyl)acetate (PubChem CID 61357398) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is methyl 2-(ethylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(ethylsulfamoyl)acetate
PubChem CID61357398
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Namemethyl 2-(ethylsulfamoyl)acetate
SMILESCCNS(=O)(=O)CC(=O)OC
InChIInChI=1S/C5H11NO4S/c1-3-6-11(8,9)4-5(7)10-2/h6H,3-4H2,1-2H3
InChIKeyNBZRJSRKLJQWKI-UHFFFAOYSA-N
XLogP-0.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylsulfamoyl)acetate?
The IUPAC name of methyl 2-(ethylsulfamoyl)acetate (CID 61357398) is methyl 2-(ethylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(ethylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(ethylsulfamoyl)acetate is CCNS(=O)(=O)CC(=O)OC.
What is the InChIKey of methyl 2-(ethylsulfamoyl)acetate?
The InChIKey is NBZRJSRKLJQWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-3-6-11(8,9)4-5(7)10-2/h6H,3-4H2,1-2H3.
What are the key properties of methyl 2-(ethylsulfamoyl)acetate?
methyl 2-(ethylsulfamoyl)acetate has a molecular weight of 181.21 g/mol, XLogP of -0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylsulfamoyl)acetate is sourced from PubChem (CID 61357398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).