4-(diethylsulfamoyl)butanoic acid

C8H17NO4S — CID 28513641

IUPAC4-(diethylsulfamoyl)butanoic acid
SMILESCCN(CC)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H17NO4S/c1-3-9(4-2)14(12,13)7-5-6-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeyWAPREGGRFQDGNJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.52
Rot. Bonds7

About 4-(diethylsulfamoyl)butanoic acid

4-(diethylsulfamoyl)butanoic acid (PubChem CID 28513641) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(diethylsulfamoyl)butanoic acid
PubChem CID28513641
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name4-(diethylsulfamoyl)butanoic acid
SMILESCCN(CC)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H17NO4S/c1-3-9(4-2)14(12,13)7-5-6-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeyWAPREGGRFQDGNJ-UHFFFAOYSA-N
XLogP0.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Pyrrolidine-1-sulfonyl)butanoic acid
CID 28513434
4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
4-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876266
4-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876267
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011516
4-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60891738
4-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60952152
4-[Pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60952310
4-[Methyl(3,3,3-trifluoropropyl)sulfamoyl]butanoic acid
CID 65535016
4-[2,2-Difluoroethyl(methyl)sulfamoyl]butanoic acid
CID 116314418
Methyl 2-(diethylsulfamoyl)propanoate
CID 11775769
2-[Di(butan-2-yl)sulfamoyl]acetic acid
CID 18988670

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)butanoic acid?
The IUPAC name of 4-(diethylsulfamoyl)butanoic acid (CID 28513641) is 4-(diethylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(diethylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(diethylsulfamoyl)butanoic acid is CCN(CC)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-(diethylsulfamoyl)butanoic acid?
The InChIKey is WAPREGGRFQDGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-3-9(4-2)14(12,13)7-5-6-8(10)11/h3-7H2,1-2H3,(H,10,11).
What are the key properties of 4-(diethylsulfamoyl)butanoic acid?
4-(diethylsulfamoyl)butanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)butanoic acid is sourced from PubChem (CID 28513641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).