1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid

C14H28N2O4S — CID 60859129

IUPAC1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid
SMILESCCCCCCC(C)NS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H28N2O4S/c1-3-4-5-6-8-12(2)15-21(19,20)16-10-7-9-13(11-16)14(17)18/h12-13,15H,3-11H2,1-2H3,(H,17,18)
InChIKeyOFGDYUSNEFEVNA-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.98
Rot. Bonds9

About 1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid

1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 60859129) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID60859129
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid
SMILESCCCCCCC(C)NS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H28N2O4S/c1-3-4-5-6-8-12(2)15-21(19,20)16-10-7-9-13(11-16)14(17)18/h12-13,15H,3-11H2,1-2H3,(H,17,18)
InChIKeyOFGDYUSNEFEVNA-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

Computed Properties (RDKit)

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

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Related Compounds

1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 61473233
1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 79254422
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 62693713
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(ethoxysulfamoyl)piperidine-3-carboxylic acid
CID 62032210
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid
CID 65285279
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 83143229
1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 66091534
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906

Frequently Asked Questions

What is the IUPAC name of 1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid (CID 60859129) is 1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid is CCCCCCC(C)NS(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is OFGDYUSNEFEVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-3-4-5-6-8-12(2)15-21(19,20)16-10-7-9-13(11-16)14(17)18/h12-13,15H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid?
1-(octan-2-ylsulfamoyl)piperidine-3-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-2-ylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 60859129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).