[2-ethyl-2-(sulfamoylmethyl)butyl] acetate

C9H19NO4S — CID 10609927

IUPAC[2-ethyl-2-(sulfamoylmethyl)butyl] acetate
SMILESCCC(CC)(COC(C)=O)CS(N)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-4-9(5-2,6-14-8(3)11)7-15(10,12)13/h4-7H2,1-3H3,(H2,10,12,13)
InChIKeySYASPIDZRFGGGD-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.64
Rot. Bonds6

About [2-ethyl-2-(sulfamoylmethyl)butyl] acetate

[2-ethyl-2-(sulfamoylmethyl)butyl] acetate (PubChem CID 10609927) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is [2-ethyl-2-(sulfamoylmethyl)butyl] acetate.

Molecular Properties

Compound Name[2-ethyl-2-(sulfamoylmethyl)butyl] acetate
PubChem CID10609927
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name[2-ethyl-2-(sulfamoylmethyl)butyl] acetate
SMILESCCC(CC)(COC(C)=O)CS(N)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-4-9(5-2,6-14-8(3)11)7-15(10,12)13/h4-7H2,1-3H3,(H2,10,12,13)
InChIKeySYASPIDZRFGGGD-UHFFFAOYSA-N
XLogP0.64
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-ethyl-2-(sulfamoylmethyl)butyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-2-(sulfamoylmethyl)butyl] acetate?
The IUPAC name of [2-ethyl-2-(sulfamoylmethyl)butyl] acetate (CID 10609927) is [2-ethyl-2-(sulfamoylmethyl)butyl] acetate.
What is the SMILES notation for [2-ethyl-2-(sulfamoylmethyl)butyl] acetate?
The canonical SMILES for [2-ethyl-2-(sulfamoylmethyl)butyl] acetate is CCC(CC)(COC(C)=O)CS(N)(=O)=O.
What is the InChIKey of [2-ethyl-2-(sulfamoylmethyl)butyl] acetate?
The InChIKey is SYASPIDZRFGGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-4-9(5-2,6-14-8(3)11)7-15(10,12)13/h4-7H2,1-3H3,(H2,10,12,13).
What are the key properties of [2-ethyl-2-(sulfamoylmethyl)butyl] acetate?
[2-ethyl-2-(sulfamoylmethyl)butyl] acetate has a molecular weight of 237.32 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-2-(sulfamoylmethyl)butyl] acetate is sourced from PubChem (CID 10609927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).