4-(1-cyclohexylethylsulfamoyl)butanoic acid

C12H23NO4S — CID 62406651

IUPAC4-(1-cyclohexylethylsulfamoyl)butanoic acid
SMILESCC(NS(=O)(=O)CCCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H23NO4S/c1-10(11-6-3-2-4-7-11)13-18(16,17)9-5-8-12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyRHQUQAYPPJUTCO-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.74
Rot. Bonds7

About 4-(1-cyclohexylethylsulfamoyl)butanoic acid

4-(1-cyclohexylethylsulfamoyl)butanoic acid (PubChem CID 62406651) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-(1-cyclohexylethylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(1-cyclohexylethylsulfamoyl)butanoic acid
PubChem CID62406651
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name4-(1-cyclohexylethylsulfamoyl)butanoic acid
SMILESCC(NS(=O)(=O)CCCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H23NO4S/c1-10(11-6-3-2-4-7-11)13-18(16,17)9-5-8-12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyRHQUQAYPPJUTCO-UHFFFAOYSA-N
XLogP1.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopentylethyl)-4-(methylamino)butane-1-sulfonamide
CID 106066011
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389
4-[2-(cycloheptylamino)ethylsulfamoyl]butanoic acid
CID 115306585
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid
CID 104827551
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
N-(1-cyclopentylethyl)-2-(propylamino)ethanesulfonamide
CID 106066112
2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid
CID 81386001
5-cyclopentylhexanoic acid
CID 69016722
4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid
CID 107216293

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylethylsulfamoyl)butanoic acid?
The IUPAC name of 4-(1-cyclohexylethylsulfamoyl)butanoic acid (CID 62406651) is 4-(1-cyclohexylethylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(1-cyclohexylethylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(1-cyclohexylethylsulfamoyl)butanoic acid is CC(NS(=O)(=O)CCCC(=O)O)C1CCCCC1.
What is the InChIKey of 4-(1-cyclohexylethylsulfamoyl)butanoic acid?
The InChIKey is RHQUQAYPPJUTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-10(11-6-3-2-4-7-11)13-18(16,17)9-5-8-12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-(1-cyclohexylethylsulfamoyl)butanoic acid?
4-(1-cyclohexylethylsulfamoyl)butanoic acid has a molecular weight of 277.39 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylethylsulfamoyl)butanoic acid is sourced from PubChem (CID 62406651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).