2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid

C9H19NO4S — CID 59634323

IUPAC2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid
SMILESCCCCN(C)S(=O)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C9H19NO4S/c1-5-6-7-10(4)15(13,14)9(2,3)8(11)12/h5-7H2,1-4H3,(H,11,12)
InChIKeyBEDZWIJPPUOQMF-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.91
Rot. Bonds6

About 2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid

2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid (PubChem CID 59634323) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid
PubChem CID59634323
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid
SMILESCCCCN(C)S(=O)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C9H19NO4S/c1-5-6-7-10(4)15(13,14)9(2,3)8(11)12/h5-7H2,1-4H3,(H,11,12)
InChIKeyBEDZWIJPPUOQMF-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid?
The IUPAC name of 2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid (CID 59634323) is 2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid is CCCCN(C)S(=O)(=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid?
The InChIKey is BEDZWIJPPUOQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-5-6-7-10(4)15(13,14)9(2,3)8(11)12/h5-7H2,1-4H3,(H,11,12).
What are the key properties of 2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid?
2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid has a molecular weight of 237.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)sulfamoyl]-2-methylpropanoic acid is sourced from PubChem (CID 59634323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).