4-[butyl(ethyl)sulfamoyl]butanoic acid

C10H21NO4S — CID 28773927

IUPAC4-[butyl(ethyl)sulfamoyl]butanoic acid
SMILESCCCCN(CC)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H21NO4S/c1-3-5-8-11(4-2)16(14,15)9-6-7-10(12)13/h3-9H2,1-2H3,(H,12,13)
InChIKeyVJRWQASBYGKIPB-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.30
Rot. Bonds9

About 4-[butyl(ethyl)sulfamoyl]butanoic acid

4-[butyl(ethyl)sulfamoyl]butanoic acid (PubChem CID 28773927) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-[butyl(ethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[butyl(ethyl)sulfamoyl]butanoic acid
PubChem CID28773927
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name4-[butyl(ethyl)sulfamoyl]butanoic acid
SMILESCCCCN(CC)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H21NO4S/c1-3-5-8-11(4-2)16(14,15)9-6-7-10(12)13/h3-9H2,1-2H3,(H,12,13)
InChIKeyVJRWQASBYGKIPB-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.30
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
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011516
3-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951576
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-[Propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]butanoic acid
CID 83067801
4-[Methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoic acid
CID 83068099

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[butyl(ethyl)sulfamoyl]butanoic acid (CID 28773927) is 4-[butyl(ethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[butyl(ethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[butyl(ethyl)sulfamoyl]butanoic acid is CCCCN(CC)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[butyl(ethyl)sulfamoyl]butanoic acid?
The InChIKey is VJRWQASBYGKIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-3-5-8-11(4-2)16(14,15)9-6-7-10(12)13/h3-9H2,1-2H3,(H,12,13).
What are the key properties of 4-[butyl(ethyl)sulfamoyl]butanoic acid?
4-[butyl(ethyl)sulfamoyl]butanoic acid has a molecular weight of 251.35 g/mol, XLogP of 1.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 28773927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).