methyl 2-(tert-butylsulfamoyl)acetate

C7H15NO4S — CID 63297051

IUPACmethyl 2-(tert-butylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H15NO4S/c1-7(2,3)8-13(10,11)5-6(9)12-4/h8H,5H2,1-4H3
InChIKeyWNLGSFFXDHIVOJ-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.12
Rot. Bonds3

About methyl 2-(tert-butylsulfamoyl)acetate

methyl 2-(tert-butylsulfamoyl)acetate (PubChem CID 63297051) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is methyl 2-(tert-butylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(tert-butylsulfamoyl)acetate
PubChem CID63297051
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Namemethyl 2-(tert-butylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H15NO4S/c1-7(2,3)8-13(10,11)5-6(9)12-4/h8H,5H2,1-4H3
InChIKeyWNLGSFFXDHIVOJ-UHFFFAOYSA-N
XLogP-0.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(tert-butylsulfamoyl)acetate?
The IUPAC name of methyl 2-(tert-butylsulfamoyl)acetate (CID 63297051) is methyl 2-(tert-butylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(tert-butylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(tert-butylsulfamoyl)acetate is COC(=O)CS(=O)(=O)NC(C)(C)C.
What is the InChIKey of methyl 2-(tert-butylsulfamoyl)acetate?
The InChIKey is WNLGSFFXDHIVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-7(2,3)8-13(10,11)5-6(9)12-4/h8H,5H2,1-4H3.
What are the key properties of methyl 2-(tert-butylsulfamoyl)acetate?
methyl 2-(tert-butylsulfamoyl)acetate has a molecular weight of 209.27 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(tert-butylsulfamoyl)acetate is sourced from PubChem (CID 63297051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).