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

C8H18N2O4S — CID 43351241

IUPAC3-[[butyl(methyl)sulfamoyl]amino]propanoic acid
SMILESCCCCN(C)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-3-4-7-10(2)15(13,14)9-6-5-8(11)12/h9H,3-7H2,1-2H3,(H,11,12)
InChIKeyHXSINALRHMZANT-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.03
Rot. Bonds8

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

3-[[butyl(methyl)sulfamoyl]amino]propanoic acid (PubChem CID 43351241) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[[butyl(methyl)sulfamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[butyl(methyl)sulfamoyl]amino]propanoic acid
PubChem CID43351241
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name3-[[butyl(methyl)sulfamoyl]amino]propanoic acid
SMILESCCCCN(C)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-3-4-7-10(2)15(13,14)9-6-5-8(11)12/h9H,3-7H2,1-2H3,(H,11,12)
InChIKeyHXSINALRHMZANT-UHFFFAOYSA-N
XLogP0.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Spermic acid
CID 167029
3-[Methyl(3,3,3-trifluoropropylsulfamoyl)amino]propanoic acid
CID 65685000
3-[Methyl(5,5,5-trifluoropentylsulfamoyl)amino]propanoic acid
CID 113326851
3-[2,2-Difluoroethylsulfamoyl(methyl)amino]propanoic acid
CID 115405555
3-[Methyl(4,4,4-trifluorobutylsulfamoyl)amino]propanoic acid
CID 115515856
3-{[(Dimethylamino)sulfonyl]amino}propanoic acid
CID 3435571
3-[4-Aminobutyl(methyl)amino]propanoic acid
CID 84751064
3-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891137
3-[Bis(2-methylpropyl)sulfamoylamino]propanoic acid
CID 87891188
3-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891321
2-(Dibutylsulfamoylamino)propanoic acid
CID 87891794
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)sulfamoyl]amino]propanoic acid?
The IUPAC name of 3-[[butyl(methyl)sulfamoyl]amino]propanoic acid (CID 43351241) is 3-[[butyl(methyl)sulfamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[butyl(methyl)sulfamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[butyl(methyl)sulfamoyl]amino]propanoic acid is CCCCN(C)S(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-[[butyl(methyl)sulfamoyl]amino]propanoic acid?
The InChIKey is HXSINALRHMZANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-3-4-7-10(2)15(13,14)9-6-5-8(11)12/h9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-[[butyl(methyl)sulfamoyl]amino]propanoic acid?
3-[[butyl(methyl)sulfamoyl]amino]propanoic acid has a molecular weight of 238.31 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)sulfamoyl]amino]propanoic acid is sourced from PubChem (CID 43351241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).