4-[diethylsulfamoyl(methyl)amino]butanoic acid

C9H20N2O4S — CID 43151882

IUPAC4-[diethylsulfamoyl(methyl)amino]butanoic acid
SMILESCCN(CC)S(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-4-11(5-2)16(14,15)10(3)8-6-7-9(12)13/h4-8H2,1-3H3,(H,12,13)
InChIKeyCTIKHYDRTWYSDG-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.37
Rot. Bonds8

About 4-[diethylsulfamoyl(methyl)amino]butanoic acid

4-[diethylsulfamoyl(methyl)amino]butanoic acid (PubChem CID 43151882) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-[diethylsulfamoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[diethylsulfamoyl(methyl)amino]butanoic acid
PubChem CID43151882
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name4-[diethylsulfamoyl(methyl)amino]butanoic acid
SMILESCCN(CC)S(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-4-11(5-2)16(14,15)10(3)8-6-7-9(12)13/h4-8H2,1-3H3,(H,12,13)
InChIKeyCTIKHYDRTWYSDG-UHFFFAOYSA-N
XLogP0.37
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-Carboxypropyl(methyl)amino]butanoic acid
CID 20818054
Bis(3-carboxypropyl)-diethylazanium
CID 11687413
Bis(3-carboxypropyl)-diethylazanium hydroxide
CID 87913940
1-Hydroxy-4-[methyl(sulfinato)amino]-1-oxobutane
CID 134606557
4-[3-Carboxypropyl(ethyl)amino]butanoic acid
CID 154143121
4-[3-Carboxypropyl-[5-(dimethylamino)pentyl]amino]butanoic acid
CID 168884766
4-[3-Carboxypropyl(dimethyl)azaniumyl]butanoate
CID 172774369
4-[Ethyl(sulfanyl)amino]butanoic acid
CID 175718837
Acetic acid;4-(diethylamino)butanoic acid
CID 175877215
4-[2-[2-[3-Carboxypropyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]butanoic acid
CID 178687903
4-(Diethylsulfamoylamino)butanoic acid
CID 28783619
4-[Ethyl(methylsulfonyl)amino]butanoic acid
CID 39242296

Frequently Asked Questions

What is the IUPAC name of 4-[diethylsulfamoyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[diethylsulfamoyl(methyl)amino]butanoic acid (CID 43151882) is 4-[diethylsulfamoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[diethylsulfamoyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[diethylsulfamoyl(methyl)amino]butanoic acid is CCN(CC)S(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[diethylsulfamoyl(methyl)amino]butanoic acid?
The InChIKey is CTIKHYDRTWYSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-4-11(5-2)16(14,15)10(3)8-6-7-9(12)13/h4-8H2,1-3H3,(H,12,13).
What are the key properties of 4-[diethylsulfamoyl(methyl)amino]butanoic acid?
4-[diethylsulfamoyl(methyl)amino]butanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethylsulfamoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 43151882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).