4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid

C12H23NO5S — CID 63826618

IUPAC4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCOC1CCCCC1
InChIInChI=1S/C12H23NO5S/c14-12(15)7-4-10-19(16,17)13-8-9-18-11-5-2-1-3-6-11/h11,13H,1-10H2,(H,14,15)
InChIKeyZQDUWLLNVCXYQB-UHFFFAOYSA-N
MW293.38 g/mol
LogP1.12
Rot. Bonds9

About 4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid

4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid (PubChem CID 63826618) has the molecular formula C12H23NO5S and a molecular weight of 293.38 g/mol. Its IUPAC name is 4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid
PubChem CID63826618
Molecular FormulaC12H23NO5S
Molecular Weight293.38 g/mol
Exact Mass293.13
IUPAC Name4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCOC1CCCCC1
InChIInChI=1S/C12H23NO5S/c14-12(15)7-4-10-19(16,17)13-8-9-18-11-5-2-1-3-6-11/h11,13H,1-10H2,(H,14,15)
InChIKeyZQDUWLLNVCXYQB-UHFFFAOYSA-N
XLogP1.12
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(cycloheptylamino)ethylsulfamoyl]butanoic acid
CID 115306585
2-amino-N-(2-cyclohexyloxyethyl)ethanesulfonamide
CID 63827888
N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106064537
3-cyclopentyloxypropanoic acid
CID 24706641
4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid
CID 79394848
4-(3-methoxypropylsulfamoyl)butanoic acid
CID 28513471
methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate
CID 55250997
3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid
CID 122068314
4-(1-cyclohexylethylsulfamoyl)butanoic acid
CID 62406651
4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid
CID 174418153
1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 63827325
3-[2-(2-cyclohexyloxyethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103487674

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid?
The IUPAC name of 4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid (CID 63826618) is 4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid is O=C(O)CCCS(=O)(=O)NCCOC1CCCCC1.
What is the InChIKey of 4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid?
The InChIKey is ZQDUWLLNVCXYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S/c14-12(15)7-4-10-19(16,17)13-8-9-18-11-5-2-1-3-6-11/h11,13H,1-10H2,(H,14,15).
What are the key properties of 4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid?
4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid has a molecular weight of 293.38 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid is sourced from PubChem (CID 63826618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).