4-[[butyl(methyl)sulfamoyl]amino]butanoic acid

C9H20N2O4S — CID 43361166

IUPAC4-[[butyl(methyl)sulfamoyl]amino]butanoic acid
SMILESCCCCN(C)S(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-3-4-8-11(2)16(14,15)10-7-5-6-9(12)13/h10H,3-8H2,1-2H3,(H,12,13)
InChIKeyLUZSCVYAZZQFPV-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.42
Rot. Bonds9

About 4-[[butyl(methyl)sulfamoyl]amino]butanoic acid

4-[[butyl(methyl)sulfamoyl]amino]butanoic acid (PubChem CID 43361166) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-[[butyl(methyl)sulfamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[butyl(methyl)sulfamoyl]amino]butanoic acid
PubChem CID43361166
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name4-[[butyl(methyl)sulfamoyl]amino]butanoic acid
SMILESCCCCN(C)S(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-3-4-8-11(2)16(14,15)10-7-5-6-9(12)13/h10H,3-8H2,1-2H3,(H,12,13)
InChIKeyLUZSCVYAZZQFPV-UHFFFAOYSA-N
XLogP0.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.42
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

N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide
CID 51078399
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
CID 64912910
5-(dimethylsulfamoylamino)pentanoic acid
CID 62034311
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63251281
3-[2-(dimethylcarbamoylamino)ethylsulfamoyl-methylamino]propanoic acid
CID 83115936
3-[methyl-[2-(methylsulfamoyl)ethylsulfamoyl]amino]propanoic acid
CID 114174999
1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methylpropane
CID 65113164
7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid
CID 54947148
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
3-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propanoic acid
CID 79548328
pentylsulfamoylformic acid
CID 87632774

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(methyl)sulfamoyl]amino]butanoic acid?
The IUPAC name of 4-[[butyl(methyl)sulfamoyl]amino]butanoic acid (CID 43361166) is 4-[[butyl(methyl)sulfamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[butyl(methyl)sulfamoyl]amino]butanoic acid?
The canonical SMILES for 4-[[butyl(methyl)sulfamoyl]amino]butanoic acid is CCCCN(C)S(=O)(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[butyl(methyl)sulfamoyl]amino]butanoic acid?
The InChIKey is LUZSCVYAZZQFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-3-4-8-11(2)16(14,15)10-7-5-6-9(12)13/h10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 4-[[butyl(methyl)sulfamoyl]amino]butanoic acid?
4-[[butyl(methyl)sulfamoyl]amino]butanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(methyl)sulfamoyl]amino]butanoic acid is sourced from PubChem (CID 43361166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).