4-(methylsulfamoyl)butanoic acid

C5H11NO4S — CID 28773451

IUPAC4-(methylsulfamoyl)butanoic acid
SMILESCNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C5H11NO4S/c1-6-11(9,10)4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)
InChIKeyDAGRDNSLZVSPTH-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.60
Rot. Bonds5

About 4-(methylsulfamoyl)butanoic acid

4-(methylsulfamoyl)butanoic acid (PubChem CID 28773451) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-(methylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(methylsulfamoyl)butanoic acid
PubChem CID28773451
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name4-(methylsulfamoyl)butanoic acid
SMILESCNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C5H11NO4S/c1-6-11(9,10)4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)
InChIKeyDAGRDNSLZVSPTH-UHFFFAOYSA-N
XLogP-0.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-sulfamoylbutanoic Acid
CID 2773320
3-(Methylsulfamoyl)propanoic acid
CID 14148292
3-Ethanesulfonamidopropanoic acid
CID 16228229
2-carboxyethane-sulfinic-acid-N-methylamide
CID 54512545
4-(2,2,2-Trifluoroethylsulfamoyl)butanoic acid
CID 28774230
3-(Butane-1-sulfonamido)propanoic acid
CID 16228485
2-Sulfamoylbutanoic acid
CID 21241990
2-(Ethylsulfonylamino)butanoic acid
CID 24262890
3-(Propylsulfamoyl)propanoic acid
CID 28513999
3-(Propane-2-sulfonamido)propanoic acid
CID 60858633
4-(Propan-2-ylsulfonylamino)butanoic acid
CID 60858637
2-(Propan-2-ylsulfonylamino)butanoic acid
CID 60859937

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfamoyl)butanoic acid?
The IUPAC name of 4-(methylsulfamoyl)butanoic acid (CID 28773451) is 4-(methylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(methylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(methylsulfamoyl)butanoic acid is CNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-(methylsulfamoyl)butanoic acid?
The InChIKey is DAGRDNSLZVSPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-6-11(9,10)4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of 4-(methylsulfamoyl)butanoic acid?
4-(methylsulfamoyl)butanoic acid has a molecular weight of 181.21 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfamoyl)butanoic acid is sourced from PubChem (CID 28773451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).