2-(ethylsulfamoyl)ethyl acetate

C6H13NO4S — CID 88607739

IUPAC2-(ethylsulfamoyl)ethyl acetate
SMILESCCNS(=O)(=O)CCOC(C)=O
InChIInChI=1S/C6H13NO4S/c1-3-7-12(9,10)5-4-11-6(2)8/h7H,3-5H2,1-2H3
InChIKeyKQWXIVUJEJYGGG-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.51
Rot. Bonds5

About 2-(ethylsulfamoyl)ethyl acetate

2-(ethylsulfamoyl)ethyl acetate (PubChem CID 88607739) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(ethylsulfamoyl)ethyl acetate.

Molecular Properties

Compound Name2-(ethylsulfamoyl)ethyl acetate
PubChem CID88607739
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-(ethylsulfamoyl)ethyl acetate
SMILESCCNS(=O)(=O)CCOC(C)=O
InChIInChI=1S/C6H13NO4S/c1-3-7-12(9,10)5-4-11-6(2)8/h7H,3-5H2,1-2H3
InChIKeyKQWXIVUJEJYGGG-UHFFFAOYSA-N
XLogP-0.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoyl)ethyl acetate?
The IUPAC name of 2-(ethylsulfamoyl)ethyl acetate (CID 88607739) is 2-(ethylsulfamoyl)ethyl acetate.
What is the SMILES notation for 2-(ethylsulfamoyl)ethyl acetate?
The canonical SMILES for 2-(ethylsulfamoyl)ethyl acetate is CCNS(=O)(=O)CCOC(C)=O.
What is the InChIKey of 2-(ethylsulfamoyl)ethyl acetate?
The InChIKey is KQWXIVUJEJYGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-3-7-12(9,10)5-4-11-6(2)8/h7H,3-5H2,1-2H3.
What are the key properties of 2-(ethylsulfamoyl)ethyl acetate?
2-(ethylsulfamoyl)ethyl acetate has a molecular weight of 195.24 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoyl)ethyl acetate is sourced from PubChem (CID 88607739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).