methyl 2-(methylsulfamoyl)acetate

C4H9NO4S — CID 61360320

IUPACmethyl 2-(methylsulfamoyl)acetate
SMILESCNS(=O)(=O)CC(=O)OC
InChIInChI=1S/C4H9NO4S/c1-5-10(7,8)3-4(6)9-2/h5H,3H2,1-2H3
InChIKeyVYDAVOAWPBXZJS-UHFFFAOYSA-N
MW167.19 g/mol
LogP-1.29
Rot. Bonds3

About methyl 2-(methylsulfamoyl)acetate

methyl 2-(methylsulfamoyl)acetate (PubChem CID 61360320) has the molecular formula C4H9NO4S and a molecular weight of 167.19 g/mol. Its IUPAC name is methyl 2-(methylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(methylsulfamoyl)acetate
PubChem CID61360320
Molecular FormulaC4H9NO4S
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Namemethyl 2-(methylsulfamoyl)acetate
SMILESCNS(=O)(=O)CC(=O)OC
InChIInChI=1S/C4H9NO4S/c1-5-10(7,8)3-4(6)9-2/h5H,3H2,1-2H3
InChIKeyVYDAVOAWPBXZJS-UHFFFAOYSA-N
XLogP-1.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-2-oxoethanesulfonate
CID 86306875
methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470
methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
CID 114383948
methyl 2-(5-hydroxypentylsulfamoyl)acetate
CID 107319424
methyl 2-(2-cyanoethylsulfamoyl)acetate
CID 62653120
dimethyl propanedioate;methanesulfonic acid
CID 172769091
methyl 2-(3-aminobutan-2-ylsulfonyl)acetate
CID 64676350
methyl 2-(methylideneamino)sulfonylacetate
CID 159429249
methyl propanoate;sulfuryl difluoride
CID 146421317
methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate
CID 548371
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate
CID 115455371
methyl 2-(benzylsulfamoyl)acetate
CID 130159397

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylsulfamoyl)acetate?
The IUPAC name of methyl 2-(methylsulfamoyl)acetate (CID 61360320) is methyl 2-(methylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(methylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(methylsulfamoyl)acetate is CNS(=O)(=O)CC(=O)OC.
What is the InChIKey of methyl 2-(methylsulfamoyl)acetate?
The InChIKey is VYDAVOAWPBXZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S/c1-5-10(7,8)3-4(6)9-2/h5H,3H2,1-2H3.
What are the key properties of methyl 2-(methylsulfamoyl)acetate?
methyl 2-(methylsulfamoyl)acetate has a molecular weight of 167.19 g/mol, XLogP of -1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylsulfamoyl)acetate is sourced from PubChem (CID 61360320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).