1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid

C13H24N2O5S — CID 63827325

IUPAC1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCCOC2CCCC2)CC1
InChIInChI=1S/C13H24N2O5S/c16-13(17)11-5-8-15(9-6-11)21(18,19)14-7-10-20-12-3-1-2-4-12/h11-12,14H,1-10H2,(H,16,17)
InChIKeyZBPMJXUZCOCVIA-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.58
Rot. Bonds7

About 1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid

1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid (PubChem CID 63827325) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid
PubChem CID63827325
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCCOC2CCCC2)CC1
InChIInChI=1S/C13H24N2O5S/c16-13(17)11-5-8-15(9-6-11)21(18,19)14-7-10-20-12-3-1-2-4-12/h11-12,14H,1-10H2,(H,16,17)
InChIKeyZBPMJXUZCOCVIA-UHFFFAOYSA-N
XLogP0.58
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.58
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

1-(2-cyclopentylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60920685
N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide
CID 131929466
1-(hexylsulfamoyl)piperidine-4-carboxylic acid
CID 60858433
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730
4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525053
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064564
N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide
CID 63869663
1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid
CID 106359363
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 60857789
1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908413
1-(2-pyrazol-1-ylethylsulfamoyl)piperidine-4-carboxylic acid
CID 61462648

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid (CID 63827325) is 1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)NCCOC2CCCC2)CC1.
What is the InChIKey of 1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid?
The InChIKey is ZBPMJXUZCOCVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c16-13(17)11-5-8-15(9-6-11)21(18,19)14-7-10-20-12-3-1-2-4-12/h11-12,14H,1-10H2,(H,16,17).
What are the key properties of 1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid?
1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63827325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).