3-[butyl(ethyl)sulfamoyl]propanoic acid

C9H19NO4S — CID 28773925

IUPAC3-[butyl(ethyl)sulfamoyl]propanoic acid
SMILESCCCCN(CC)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H19NO4S/c1-3-5-7-10(4-2)15(13,14)8-6-9(11)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyROJKBTMAEAUNKR-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.91
Rot. Bonds8

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

3-[butyl(ethyl)sulfamoyl]propanoic acid (PubChem CID 28773925) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[butyl(ethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[butyl(ethyl)sulfamoyl]propanoic acid
PubChem CID28773925
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name3-[butyl(ethyl)sulfamoyl]propanoic acid
SMILESCCCCN(CC)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H19NO4S/c1-3-5-7-10(4-2)15(13,14)8-6-9(11)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyROJKBTMAEAUNKR-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

3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101578
4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid
CID 82326450
3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
CID 43588558
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid
CID 82965858
3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950529
2-[ethyl(propylsulfonyl)amino]acetic acid
CID 61011722
3-[benzyl(propyl)sulfamoyl]propanoic acid
CID 43362028
3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid
CID 60950576
3-[butylsulfonyl(2-carboxyethyl)amino]-2-methylpropanoic acid
CID 82326473
N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide
CID 102998334

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[butyl(ethyl)sulfamoyl]propanoic acid (CID 28773925) is 3-[butyl(ethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[butyl(ethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[butyl(ethyl)sulfamoyl]propanoic acid is CCCCN(CC)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[butyl(ethyl)sulfamoyl]propanoic acid?
The InChIKey is ROJKBTMAEAUNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-3-5-7-10(4-2)15(13,14)8-6-9(11)12/h3-8H2,1-2H3,(H,11,12).
What are the key properties of 3-[butyl(ethyl)sulfamoyl]propanoic acid?
3-[butyl(ethyl)sulfamoyl]propanoic 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 3-[butyl(ethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 28773925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).