3-[butyl(methyl)sulfamoyl]propanoic acid

C8H17NO4S — CID 28514234

IUPAC3-[butyl(methyl)sulfamoyl]propanoic acid
SMILESCCCCN(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H17NO4S/c1-3-4-6-9(2)14(12,13)7-5-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeyZGLDEMXEQJRSJP-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.52
Rot. Bonds7

About 3-[butyl(methyl)sulfamoyl]propanoic acid

3-[butyl(methyl)sulfamoyl]propanoic acid (PubChem CID 28514234) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-[butyl(methyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[butyl(methyl)sulfamoyl]propanoic acid
PubChem CID28514234
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name3-[butyl(methyl)sulfamoyl]propanoic acid
SMILESCCCCN(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H17NO4S/c1-3-4-6-9(2)14(12,13)7-5-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeyZGLDEMXEQJRSJP-UHFFFAOYSA-N
XLogP0.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylsulfamoyl)propanoic acid
CID 28773888
4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
3-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951576
3-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
2-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61458199
3-[Methyl(3,3,3-trifluoropropyl)sulfamoyl]propanoic acid
CID 65533263
2-[Methyl(3,3,3-trifluoropropyl)sulfamoyl]propanoic acid
CID 65534626
3-[3-Fluoropropylsulfonyl(methyl)amino]propanoic acid
CID 120084619
3-[3-Fluoropropylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 120397697
3-[4-Fluorobutylsulfonyl(methyl)amino]propanoic acid
CID 121617583
3-[4-Fluorobutylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 121617586

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[butyl(methyl)sulfamoyl]propanoic acid (CID 28514234) is 3-[butyl(methyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[butyl(methyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[butyl(methyl)sulfamoyl]propanoic acid is CCCCN(C)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[butyl(methyl)sulfamoyl]propanoic acid?
The InChIKey is ZGLDEMXEQJRSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-3-4-6-9(2)14(12,13)7-5-8(10)11/h3-7H2,1-2H3,(H,10,11).
What are the key properties of 3-[butyl(methyl)sulfamoyl]propanoic acid?
3-[butyl(methyl)sulfamoyl]propanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 28514234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).