ethyl 2-(tert-butylsulfamoyl)acetate

C8H17NO4S — CID 19833529

IUPACethyl 2-(tert-butylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO4S/c1-5-13-7(10)6-14(11,12)9-8(2,3)4/h9H,5-6H2,1-4H3
InChIKeyUTMLASXVJFNWHZ-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.27
Rot. Bonds4

About ethyl 2-(tert-butylsulfamoyl)acetate

ethyl 2-(tert-butylsulfamoyl)acetate (PubChem CID 19833529) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is ethyl 2-(tert-butylsulfamoyl)acetate.

Molecular Properties

Compound Nameethyl 2-(tert-butylsulfamoyl)acetate
PubChem CID19833529
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Nameethyl 2-(tert-butylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO4S/c1-5-13-7(10)6-14(11,12)9-8(2,3)4/h9H,5-6H2,1-4H3
InChIKeyUTMLASXVJFNWHZ-UHFFFAOYSA-N
XLogP0.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(tert-butylsulfamoyl)acetate?
The IUPAC name of ethyl 2-(tert-butylsulfamoyl)acetate (CID 19833529) is ethyl 2-(tert-butylsulfamoyl)acetate.
What is the SMILES notation for ethyl 2-(tert-butylsulfamoyl)acetate?
The canonical SMILES for ethyl 2-(tert-butylsulfamoyl)acetate is CCOC(=O)CS(=O)(=O)NC(C)(C)C.
What is the InChIKey of ethyl 2-(tert-butylsulfamoyl)acetate?
The InChIKey is UTMLASXVJFNWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-5-13-7(10)6-14(11,12)9-8(2,3)4/h9H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(tert-butylsulfamoyl)acetate?
ethyl 2-(tert-butylsulfamoyl)acetate has a molecular weight of 223.29 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(tert-butylsulfamoyl)acetate is sourced from PubChem (CID 19833529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).