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

C8H18N2O4S — CID 61455727

IUPAC4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
SMILESCC(C)N(C)S(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-7(2)10(3)15(13,14)9-6-4-5-8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12)
InChIKeyYISQIOUMCGMNAB-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.03
Rot. Bonds7

About 4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid

4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid (PubChem CID 61455727) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
PubChem CID61455727
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
SMILESCC(C)N(C)S(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-7(2)10(3)15(13,14)9-6-4-5-8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12)
InChIKeyYISQIOUMCGMNAB-UHFFFAOYSA-N
XLogP0.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[Propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805545
(2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid
CID 87289680
(2S)-2-amino-4-[3-(dimethylamino)propyl-(methylsulfamoyl)amino]butanoic acid
CID 89123897
(2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid
CID 89123898
2-Amino-4-[3-(dimethylamino)propyl-(methylsulfamoyl)amino]butanoic acid
CID 89123899
(2S)-2-amino-4-[[2-(dimethylamino)ethyl-methylsulfamoyl]amino]butanoic acid
CID 89123965
(2S)-2-amino-4-(dimethylsulfamoylamino)butanoic acid
CID 89124061
2-Amino-4-(dimethylsulfamoylamino)butanoic acid
CID 89124062
(2S)-2-amino-4-(methylsulfamoylamino)butanoic acid
CID 89124184
2-Amino-4-(methylsulfamoylamino)butanoic acid
CID 89124186
(2S)-2-amino-4-[3-(dimethylamino)propylsulfamoylamino]butanoic acid
CID 89124191
2-Amino-4-[3-(dimethylamino)propylsulfamoylamino]butanoic acid
CID 89124193

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The IUPAC name of 4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid (CID 61455727) is 4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The canonical SMILES for 4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid is CC(C)N(C)S(=O)(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The InChIKey is YISQIOUMCGMNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-7(2)10(3)15(13,14)9-6-4-5-8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid has a molecular weight of 238.31 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid is sourced from PubChem (CID 61455727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).