methyl 2-(tert-butylsulfamoyl)propanoate

C8H17NO4S — CID 64590825

IUPACmethyl 2-(tert-butylsulfamoyl)propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO4S/c1-6(7(10)13-5)14(11,12)9-8(2,3)4/h6,9H,1-5H3
InChIKeyZTOWEISNHUCUEA-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.27
Rot. Bonds3

About methyl 2-(tert-butylsulfamoyl)propanoate

methyl 2-(tert-butylsulfamoyl)propanoate (PubChem CID 64590825) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is methyl 2-(tert-butylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(tert-butylsulfamoyl)propanoate
PubChem CID64590825
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Namemethyl 2-(tert-butylsulfamoyl)propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO4S/c1-6(7(10)13-5)14(11,12)9-8(2,3)4/h6,9H,1-5H3
InChIKeyZTOWEISNHUCUEA-UHFFFAOYSA-N
XLogP0.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 methyl 2-(tert-butylsulfamoyl)propanoate?
The IUPAC name of methyl 2-(tert-butylsulfamoyl)propanoate (CID 64590825) is methyl 2-(tert-butylsulfamoyl)propanoate.
What is the SMILES notation for methyl 2-(tert-butylsulfamoyl)propanoate?
The canonical SMILES for methyl 2-(tert-butylsulfamoyl)propanoate is COC(=O)C(C)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of methyl 2-(tert-butylsulfamoyl)propanoate?
The InChIKey is ZTOWEISNHUCUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-6(7(10)13-5)14(11,12)9-8(2,3)4/h6,9H,1-5H3.
What are the key properties of methyl 2-(tert-butylsulfamoyl)propanoate?
methyl 2-(tert-butylsulfamoyl)propanoate has a molecular weight of 223.29 g/mol, XLogP of 0.27, 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)propanoate is sourced from PubChem (CID 64590825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).