2-(tert-butylsulfamoyl)ethyl acetate

C8H17NO4S — CID 174630452

IUPAC2-(tert-butylsulfamoyl)ethyl acetate
SMILESCC(=O)OCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO4S/c1-7(10)13-5-6-14(11,12)9-8(2,3)4/h9H,5-6H2,1-4H3
InChIKeyZDWUUVUJBBDKLF-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.27
Rot. Bonds4

About 2-(tert-butylsulfamoyl)ethyl acetate

2-(tert-butylsulfamoyl)ethyl acetate (PubChem CID 174630452) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(tert-butylsulfamoyl)ethyl acetate.

Molecular Properties

Compound Name2-(tert-butylsulfamoyl)ethyl acetate
PubChem CID174630452
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-(tert-butylsulfamoyl)ethyl acetate
SMILESCC(=O)OCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO4S/c1-7(10)13-5-6-14(11,12)9-8(2,3)4/h9H,5-6H2,1-4H3
InChIKeyZDWUUVUJBBDKLF-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 2-(tert-butylsulfamoyl)ethyl acetate?
The IUPAC name of 2-(tert-butylsulfamoyl)ethyl acetate (CID 174630452) is 2-(tert-butylsulfamoyl)ethyl acetate.
What is the SMILES notation for 2-(tert-butylsulfamoyl)ethyl acetate?
The canonical SMILES for 2-(tert-butylsulfamoyl)ethyl acetate is CC(=O)OCCS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylsulfamoyl)ethyl acetate?
The InChIKey is ZDWUUVUJBBDKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-7(10)13-5-6-14(11,12)9-8(2,3)4/h9H,5-6H2,1-4H3.
What are the key properties of 2-(tert-butylsulfamoyl)ethyl acetate?
2-(tert-butylsulfamoyl)ethyl 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 2-(tert-butylsulfamoyl)ethyl acetate is sourced from PubChem (CID 174630452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).