methyl 2-(methylsulfamoyl)propanoate

C5H11NO4S — CID 61458435

IUPACmethyl 2-(methylsulfamoyl)propanoate
SMILESCNS(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C5H11NO4S/c1-4(5(7)10-3)11(8,9)6-2/h4,6H,1-3H3
InChIKeyMUHJSEDAPPDXLV-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.90
Rot. Bonds3

About methyl 2-(methylsulfamoyl)propanoate

methyl 2-(methylsulfamoyl)propanoate (PubChem CID 61458435) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is methyl 2-(methylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(methylsulfamoyl)propanoate
PubChem CID61458435
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Namemethyl 2-(methylsulfamoyl)propanoate
SMILESCNS(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C5H11NO4S/c1-4(5(7)10-3)11(8,9)6-2/h4,6H,1-3H3
InChIKeyMUHJSEDAPPDXLV-UHFFFAOYSA-N
XLogP-0.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate
CID 55138401
methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate
CID 79111140
methyl 2-(cyclohexylsulfamoyl)propanoate
CID 63362940
methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate
CID 61459191
methyl 2-(but-3-yn-2-ylsulfamoyl)propanoate
CID 114419096
(2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
CID 104965150
methyl 2-[2-(propan-2-ylamino)ethylsulfamoyl]propanoate
CID 62664428
methyl 2-(2-sulfamoylethylsulfamoyl)propanoate
CID 61459354
(2R)-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927053
methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate
CID 63194222
2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 54951162
methyl 2-(dimethylsulfamoyl)propanoate
CID 63363151

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylsulfamoyl)propanoate?
The IUPAC name of methyl 2-(methylsulfamoyl)propanoate (CID 61458435) is methyl 2-(methylsulfamoyl)propanoate.
What is the SMILES notation for methyl 2-(methylsulfamoyl)propanoate?
The canonical SMILES for methyl 2-(methylsulfamoyl)propanoate is CNS(=O)(=O)C(C)C(=O)OC.
What is the InChIKey of methyl 2-(methylsulfamoyl)propanoate?
The InChIKey is MUHJSEDAPPDXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-4(5(7)10-3)11(8,9)6-2/h4,6H,1-3H3.
What are the key properties of methyl 2-(methylsulfamoyl)propanoate?
methyl 2-(methylsulfamoyl)propanoate has a molecular weight of 181.21 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylsulfamoyl)propanoate is sourced from PubChem (CID 61458435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).