1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid

C12H24N2O4S — CID 25219592

IUPAC1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCCCN(CC)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H24N2O4S/c1-3-5-8-13(4-2)19(17,18)14-9-6-11(7-10-14)12(15)16/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyYONWZKYBISAJPK-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.15
Rot. Bonds7

About 1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid

1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 25219592) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID25219592
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCCCN(CC)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H24N2O4S/c1-3-5-8-13(4-2)19(17,18)14-9-6-11(7-10-14)12(15)16/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyYONWZKYBISAJPK-UHFFFAOYSA-N
XLogP1.15
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid (CID 25219592) is 1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid is CCCCN(CC)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is YONWZKYBISAJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-5-8-13(4-2)19(17,18)14-9-6-11(7-10-14)12(15)16/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 292.40 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 25219592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).