4-[butyl(methyl)sulfamoyl]butanoic acid

C9H19NO4S — CID 28513685

IUPAC4-[butyl(methyl)sulfamoyl]butanoic acid
SMILESCCCCN(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H19NO4S/c1-3-4-7-10(2)15(13,14)8-5-6-9(11)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyGESLRYAYFCJJLY-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.91
Rot. Bonds8

About 4-[butyl(methyl)sulfamoyl]butanoic acid

4-[butyl(methyl)sulfamoyl]butanoic acid (PubChem CID 28513685) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[butyl(methyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[butyl(methyl)sulfamoyl]butanoic acid
PubChem CID28513685
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name4-[butyl(methyl)sulfamoyl]butanoic acid
SMILESCCCCN(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H19NO4S/c1-3-4-7-10(2)15(13,14)8-5-6-9(11)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyGESLRYAYFCJJLY-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Pyrrolidine-1-sulfonyl)butanoic acid
CID 28513434
2-Methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylic acid
CID 121582537
4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
4-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876266
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
3-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951576
4-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60952152
4-[Methyl(3,3,3-trifluoropropyl)sulfamoyl]butanoic acid
CID 65535016
4-[Methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoic acid
CID 83068099
3-[4-Fluorobutylsulfonyl(methyl)amino]propanoic acid
CID 121617583
3-(Dipropylsulfamoyl)propanoic acid
CID 24253495
4-(Dipropylsulfamoyl)butanoic acid
CID 28513702

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[butyl(methyl)sulfamoyl]butanoic acid (CID 28513685) is 4-[butyl(methyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[butyl(methyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[butyl(methyl)sulfamoyl]butanoic acid is CCCCN(C)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[butyl(methyl)sulfamoyl]butanoic acid?
The InChIKey is GESLRYAYFCJJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-3-4-7-10(2)15(13,14)8-5-6-9(11)12/h3-8H2,1-2H3,(H,11,12).
What are the key properties of 4-[butyl(methyl)sulfamoyl]butanoic acid?
4-[butyl(methyl)sulfamoyl]butanoic acid has a molecular weight of 237.32 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 28513685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).