1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid

C12H22N2O4S — CID 28784447

IUPAC1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)N2CCCCC2)CCCCC1
InChIInChI=1S/C12H22N2O4S/c15-11(16)12(7-3-1-4-8-12)13-19(17,18)14-9-5-2-6-10-14/h13H,1-10H2,(H,15,16)
InChIKeyJDMZORPNEJPCLW-UHFFFAOYSA-N
MW290.38 g/mol
LogP1.09
Rot. Bonds4

About 1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid

1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 28784447) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID28784447
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)N2CCCCC2)CCCCC1
InChIInChI=1S/C12H22N2O4S/c15-11(16)12(7-3-1-4-8-12)13-19(17,18)14-9-5-2-6-10-14/h13H,1-10H2,(H,15,16)
InChIKeyJDMZORPNEJPCLW-UHFFFAOYSA-N
XLogP1.09
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(piperidin-1-ylsulfonylamino)cyclohexane-1-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-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid (CID 28784447) is 1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)N2CCCCC2)CCCCC1.
What is the InChIKey of 1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is JDMZORPNEJPCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c15-11(16)12(7-3-1-4-8-12)13-19(17,18)14-9-5-2-6-10-14/h13H,1-10H2,(H,15,16).
What are the key properties of 1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid?
1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 290.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 28784447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).