3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid

C8H18N2O4S — CID 61455844

IUPAC3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C8H18N2O4S/c1-6(2)10(4)15(13,14)9-7(3)5-8(11)12/h6-7,9H,5H2,1-4H3,(H,11,12)
InChIKeyGRFRGIKJWRKZNH-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.02
Rot. Bonds6

About 3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid

3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid (PubChem CID 61455844) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
PubChem CID61455844
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C8H18N2O4S/c1-6(2)10(4)15(13,14)9-7(3)5-8(11)12/h6-7,9H,5H2,1-4H3,(H,11,12)
InChIKeyGRFRGIKJWRKZNH-UHFFFAOYSA-N
XLogP0.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Fluorosulfonylamino)butanoic acid
CID 130266429
3-{[(Dimethylamino)sulfonyl]amino}propanoic acid
CID 3435571
3-Amino-2-(dimethylsulfamoylamino)propanoic acid
CID 23223724
2-Amino-3-(dimethylsulfamoylamino)propanoic acid
CID 53905249
3-Aminobutanoic acid;sulfuric acid
CID 87064286
2-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891136
3-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891137
3-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891321
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
(3S)-3-aminobutanoic acid;sulfuric acid
CID 88052086
(2S)-3-amino-2-(dimethylsulfamoylamino)propanoic acid
CID 88118758
3-Amino-2-(diethylsulfamoylamino)propanoic acid
CID 88247820

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The IUPAC name of 3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid (CID 61455844) is 3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The canonical SMILES for 3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid is CC(CC(=O)O)NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of 3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The InChIKey is GRFRGIKJWRKZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-6(2)10(4)15(13,14)9-7(3)5-8(11)12/h6-7,9H,5H2,1-4H3,(H,11,12).
What are the key properties of 3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid has a molecular weight of 238.31 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid is sourced from PubChem (CID 61455844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).