2-[butyl(ethyl)sulfamoyl]propanoic acid

C9H19NO4S — CID 61454716

IUPAC2-[butyl(ethyl)sulfamoyl]propanoic acid
SMILESCCCCN(CC)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H19NO4S/c1-4-6-7-10(5-2)15(13,14)8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyILQKAJFROLAKTF-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.91
Rot. Bonds7

About 2-[butyl(ethyl)sulfamoyl]propanoic acid

2-[butyl(ethyl)sulfamoyl]propanoic acid (PubChem CID 61454716) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[butyl(ethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[butyl(ethyl)sulfamoyl]propanoic acid
PubChem CID61454716
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name2-[butyl(ethyl)sulfamoyl]propanoic acid
SMILESCCCCN(CC)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H19NO4S/c1-4-6-7-10(5-2)15(13,14)8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyILQKAJFROLAKTF-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101618
2-[bis[3-(dimethylamino)propyl]sulfamoyl]propanoic acid
CID 61457737
2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid
CID 79390632
2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
CID 54947908
2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid
CID 79668616
N-ethyl-N-[methyl(propan-2-yl)sulfamoyl]butan-1-amine
CID 86989260
3-[hexyl(methylsulfonyl)amino]-2-methylpropanoic acid
CID 82326382
2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid
CID 61457845
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
butyl(propan-2-yl)carbamic acid
CID 87287717
N-ethyl-N-tetradecylmethanesulfonamide
CID 91715481
2-octadecylsulfonylpropanoic acid
CID 22623737

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[butyl(ethyl)sulfamoyl]propanoic acid (CID 61454716) is 2-[butyl(ethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[butyl(ethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[butyl(ethyl)sulfamoyl]propanoic acid is CCCCN(CC)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[butyl(ethyl)sulfamoyl]propanoic acid?
The InChIKey is ILQKAJFROLAKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-4-6-7-10(5-2)15(13,14)8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-[butyl(ethyl)sulfamoyl]propanoic acid?
2-[butyl(ethyl)sulfamoyl]propanoic acid has a molecular weight of 237.32 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61454716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).