1-(dibutylsulfamoyl)piperidine-4-carboxylic acid

C14H28N2O4S — CID 60857771

IUPAC1-(dibutylsulfamoyl)piperidine-4-carboxylic acid
SMILESCCCCN(CCCC)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H28N2O4S/c1-3-5-9-15(10-6-4-2)21(19,20)16-11-7-13(8-12-16)14(17)18/h13H,3-12H2,1-2H3,(H,17,18)
InChIKeyLHHXFJRGVIJVKZ-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.93
Rot. Bonds9

About 1-(dibutylsulfamoyl)piperidine-4-carboxylic acid

1-(dibutylsulfamoyl)piperidine-4-carboxylic acid (PubChem CID 60857771) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-(dibutylsulfamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(dibutylsulfamoyl)piperidine-4-carboxylic acid
PubChem CID60857771
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name1-(dibutylsulfamoyl)piperidine-4-carboxylic acid
SMILESCCCCN(CCCC)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H28N2O4S/c1-3-5-9-15(10-6-4-2)21(19,20)16-11-7-13(8-12-16)14(17)18/h13H,3-12H2,1-2H3,(H,17,18)
InChIKeyLHHXFJRGVIJVKZ-UHFFFAOYSA-N
XLogP1.93
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid
CID 60951723
1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60950199
1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 54876717
1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 130884423
N-butyl-N-(2-chloroethyl)azepane-1-sulfonamide
CID 63396937
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107198638
N-butyl-N-ethylpiperidine-1-sulfonamide
CID 86920062
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
1-(hexylsulfamoyl)piperidine-4-carboxylic acid
CID 60858433
1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide
CID 86931198
1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid
CID 106019200
1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 115985522

Frequently Asked Questions

What is the IUPAC name of 1-(dibutylsulfamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(dibutylsulfamoyl)piperidine-4-carboxylic acid (CID 60857771) is 1-(dibutylsulfamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(dibutylsulfamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(dibutylsulfamoyl)piperidine-4-carboxylic acid is CCCCN(CCCC)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(dibutylsulfamoyl)piperidine-4-carboxylic acid?
The InChIKey is LHHXFJRGVIJVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-3-5-9-15(10-6-4-2)21(19,20)16-11-7-13(8-12-16)14(17)18/h13H,3-12H2,1-2H3,(H,17,18).
What are the key properties of 1-(dibutylsulfamoyl)piperidine-4-carboxylic acid?
1-(dibutylsulfamoyl)piperidine-4-carboxylic acid has a molecular weight of 320.46 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutylsulfamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 60857771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).