methyl 2-(2-methylpropylsulfamoyl)acetate

C7H15NO4S — CID 63928470

IUPACmethyl 2-(2-methylpropylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCC(C)C
InChIInChI=1S/C7H15NO4S/c1-6(2)4-8-13(10,11)5-7(9)12-3/h6,8H,4-5H2,1-3H3
InChIKeyKAZXAQXHDNBILL-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.27
Rot. Bonds5

About methyl 2-(2-methylpropylsulfamoyl)acetate

methyl 2-(2-methylpropylsulfamoyl)acetate (PubChem CID 63928470) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is methyl 2-(2-methylpropylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropylsulfamoyl)acetate
PubChem CID63928470
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Namemethyl 2-(2-methylpropylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCC(C)C
InChIInChI=1S/C7H15NO4S/c1-6(2)4-8-13(10,11)5-7(9)12-3/h6,8H,4-5H2,1-3H3
InChIKeyKAZXAQXHDNBILL-UHFFFAOYSA-N
XLogP-0.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid
CID 65222422
2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474747
methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate
CID 115301229
methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate
CID 103836410
methyl 2-(methylsulfamoyl)acetate
CID 61360320
ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate
CID 66108874
methyl 2-(5-hydroxypentylsulfamoyl)acetate
CID 107319424
methyl 2-(2-cyanoethylsulfamoyl)acetate
CID 62653120
methyl 2-(3-aminobutan-2-ylsulfonyl)acetate
CID 64676350
methyl 3-(2-methoxypropylsulfamoyl)propanoate
CID 102697663
methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
methyl 2-(3-methylbutan-2-ylsulfonyl)acetate
CID 107746652

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropylsulfamoyl)acetate?
The IUPAC name of methyl 2-(2-methylpropylsulfamoyl)acetate (CID 63928470) is methyl 2-(2-methylpropylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(2-methylpropylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(2-methylpropylsulfamoyl)acetate is COC(=O)CS(=O)(=O)NCC(C)C.
What is the InChIKey of methyl 2-(2-methylpropylsulfamoyl)acetate?
The InChIKey is KAZXAQXHDNBILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-6(2)4-8-13(10,11)5-7(9)12-3/h6,8H,4-5H2,1-3H3.
What are the key properties of methyl 2-(2-methylpropylsulfamoyl)acetate?
methyl 2-(2-methylpropylsulfamoyl)acetate has a molecular weight of 209.27 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropylsulfamoyl)acetate is sourced from PubChem (CID 63928470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).