1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide

C22H43N3O3S — CID 3245451

IUPAC1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1
InChIInChI=1S/C22H43N3O3S/c1-18(2)16-25(17-19(3)4)29(27,28)24-14-12-20(13-15-24)22(26)23-21-10-8-6-5-7-9-11-21/h18-21H,5-17H2,1-4H3,(H,23,26)
InChIKeyPCYBYLMEZKHMPO-UHFFFAOYSA-N
MW429.67 g/mol
LogP3.79
Rot. Bonds8

About 1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide

1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide (PubChem CID 3245451) has the molecular formula C22H43N3O3S and a molecular weight of 429.67 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide
PubChem CID3245451
Molecular FormulaC22H43N3O3S
Molecular Weight429.67 g/mol
Exact Mass429.30
IUPAC Name1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1
InChIInChI=1S/C22H43N3O3S/c1-18(2)16-25(17-19(3)4)29(27,28)24-14-12-20(13-15-24)22(26)23-21-10-8-6-5-7-9-11-21/h18-21H,5-17H2,1-4H3,(H,23,26)
InChIKeyPCYBYLMEZKHMPO-UHFFFAOYSA-N
XLogP3.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.67
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide 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-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide?
The IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide (CID 3245451) is 1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide?
The canonical SMILES for 1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide is CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1.
What is the InChIKey of 1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide?
The InChIKey is PCYBYLMEZKHMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O3S/c1-18(2)16-25(17-19(3)4)29(27,28)24-14-12-20(13-15-24)22(26)23-21-10-8-6-5-7-9-11-21/h18-21H,5-17H2,1-4H3,(H,23,26).
What are the key properties of 1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide?
1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide has a molecular weight of 429.67 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctylpiperidine-4-carboxamide is sourced from PubChem (CID 3245451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).