4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid

C13H28N2O4S — CID 43107647

IUPAC4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid
SMILESCCN(CC)CCCC(C)NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C13H28N2O4S/c1-4-15(5-2)10-6-8-12(3)14-20(18,19)11-7-9-13(16)17/h12,14H,4-11H2,1-3H3,(H,16,17)
InChIKeyFCUIEGXAUGYNKB-UHFFFAOYSA-N
MW308.44 g/mol
LogP1.28
Rot. Bonds12

About 4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid

4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid (PubChem CID 43107647) has the molecular formula C13H28N2O4S and a molecular weight of 308.44 g/mol. Its IUPAC name is 4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid
PubChem CID43107647
Molecular FormulaC13H28N2O4S
Molecular Weight308.44 g/mol
Exact Mass308.18
IUPAC Name4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid
SMILESCCN(CC)CCCC(C)NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C13H28N2O4S/c1-4-15(5-2)10-6-8-12(3)14-20(18,19)11-7-9-13(16)17/h12,14H,4-11H2,1-3H3,(H,16,17)
InChIKeyFCUIEGXAUGYNKB-UHFFFAOYSA-N
XLogP1.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-5-(diethylsulfamoyl)pentanoic acid
CID 135045022
3-[2-[Methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid
CID 62642533
4-Amino-3-(1-isopropyl-piperidin-4-ylsulfamoyl)-butyric acid
CID 66624958
(2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid
CID 67154264
(2S)-2-amino-4-pyrrolidin-1-ylsulfonylbutanoic acid
CID 67154353
(2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid
CID 67154800
(2S)-2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid
CID 67154810
(2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid
CID 67154831
(2S)-2-amino-4-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]butanoic acid
CID 70945356
(2R)-2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid
CID 70945474
2-Amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid
CID 70945475
2-Amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid
CID 70945484

Frequently Asked Questions

What is the IUPAC name of 4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid?
The IUPAC name of 4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid (CID 43107647) is 4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid is CCN(CC)CCCC(C)NS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid?
The InChIKey is FCUIEGXAUGYNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4S/c1-4-15(5-2)10-6-8-12(3)14-20(18,19)11-7-9-13(16)17/h12,14H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid?
4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid has a molecular weight of 308.44 g/mol, XLogP of 1.28, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(diethylamino)pentan-2-ylsulfamoyl]butanoic acid is sourced from PubChem (CID 43107647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).