methyl 3-(tert-butylsulfamoyl)-2-methylpropanoate

C9H19NO4S — CID 90395141

IUPACmethyl 3-(tert-butylsulfamoyl)-2-methylpropanoate
SMILESCOC(=O)C(C)CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO4S/c1-7(8(11)14-5)6-15(12,13)10-9(2,3)4/h7,10H,6H2,1-5H3
InChIKeyZFKIFNJZSWREQA-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.51
Rot. Bonds4

About methyl 3-(tert-butylsulfamoyl)-2-methylpropanoate

methyl 3-(tert-butylsulfamoyl)-2-methylpropanoate (PubChem CID 90395141) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is methyl 3-(tert-butylsulfamoyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(tert-butylsulfamoyl)-2-methylpropanoate
PubChem CID90395141
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Namemethyl 3-(tert-butylsulfamoyl)-2-methylpropanoate
SMILESCOC(=O)C(C)CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO4S/c1-7(8(11)14-5)6-15(12,13)10-9(2,3)4/h7,10H,6H2,1-5H3
InChIKeyZFKIFNJZSWREQA-UHFFFAOYSA-N
XLogP0.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(tert-butylsulfamoyl)propanoate
CID 14517425
ethyl-2-(N-tert-butylsulfamoyl)acetate
CID 19833529
N-tert-butyl-4-acetoxybutanesulfonamide
CID 22484967
Methyl 2-(tert-butylsulfamoyl)acetate
CID 63297051
Ethyl 2-(tert-butylsulfamoyl)acetate;ethyl 2-chlorosulfonylacetate
CID 161659636
2-(Tert-butylsulfamoyl)ethyl acetate
CID 174630452
3-(Tert-butylsulfamoyl)-2,2-dimethylpropanoic acid
CID 28515696
3-(2-Methylbutan-2-ylsulfamoyl)propanoic acid
CID 28773402
Methyl 2-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoate
CID 54952432
Methyl 3-(2-cyanopropan-2-ylsulfamoyl)propanoate
CID 55138988
Ethyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate
CID 60284090
2-(2-Methylbutan-2-ylsulfamoyl)propanoic acid
CID 61454181

Frequently Asked Questions

What is the IUPAC name of methyl 3-(tert-butylsulfamoyl)-2-methylpropanoate?
The IUPAC name of methyl 3-(tert-butylsulfamoyl)-2-methylpropanoate (CID 90395141) is methyl 3-(tert-butylsulfamoyl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(tert-butylsulfamoyl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(tert-butylsulfamoyl)-2-methylpropanoate is COC(=O)C(C)CS(=O)(=O)NC(C)(C)C.
What is the InChIKey of methyl 3-(tert-butylsulfamoyl)-2-methylpropanoate?
The InChIKey is ZFKIFNJZSWREQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-7(8(11)14-5)6-15(12,13)10-9(2,3)4/h7,10H,6H2,1-5H3.
What are the key properties of methyl 3-(tert-butylsulfamoyl)-2-methylpropanoate?
methyl 3-(tert-butylsulfamoyl)-2-methylpropanoate has a molecular weight of 237.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(tert-butylsulfamoyl)-2-methylpropanoate is sourced from PubChem (CID 90395141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).