1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid

C14H28N2O4S — CID 106019200

IUPAC1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid
SMILESCCCCC(CCC)NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H28N2O4S/c1-3-5-7-13(6-4-2)15-21(19,20)16-10-8-12(9-11-16)14(17)18/h12-13,15H,3-11H2,1-2H3,(H,17,18)
InChIKeyMZPHEHYGWJPMKS-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.98
Rot. Bonds9

About 1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid

1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid (PubChem CID 106019200) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid
PubChem CID106019200
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid
SMILESCCCCC(CCC)NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H28N2O4S/c1-3-5-7-13(6-4-2)15-21(19,20)16-10-8-12(9-11-16)14(17)18/h12-13,15H,3-11H2,1-2H3,(H,17,18)
InChIKeyMZPHEHYGWJPMKS-UHFFFAOYSA-N
XLogP1.98
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hex-5-yn-3-ylsulfamoyl)piperidine-4-carboxylic acid
CID 113477031
1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
CID 62647758
1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
CID 83177957
1-(hexylsulfamoyl)piperidine-4-carboxylic acid
CID 60858433
1-(dibutylsulfamoyl)piperidine-4-carboxylic acid
CID 60857771
1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 79254218
1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 79538536
2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 43631191
1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712
1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859129
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858282
1-pentylsulfonylpyrrolidine-3-carboxylic acid
CID 122068573

Frequently Asked Questions

What is the IUPAC name of 1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid (CID 106019200) is 1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid is CCCCC(CCC)NS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid?
The InChIKey is MZPHEHYGWJPMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-3-5-7-13(6-4-2)15-21(19,20)16-10-8-12(9-11-16)14(17)18/h12-13,15H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid?
1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid has a molecular weight of 320.46 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106019200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).