4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine

C18H28N2O2S — CID 2911561

IUPAC4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-15-3-5-18(6-4-15)23(21,22)20-13-9-17(10-14-20)19-11-7-16(2)8-12-19/h3-6,16-17H,7-14H2,1-2H3
InChIKeyTUXWDUQDYJRALJ-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.88
Rot. Bonds3

About 4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine

4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine (PubChem CID 2911561) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
PubChem CID2911561
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-15-3-5-18(6-4-15)23(21,22)20-13-9-17(10-14-20)19-11-7-16(2)8-12-19/h3-6,16-17H,7-14H2,1-2H3
InChIKeyTUXWDUQDYJRALJ-UHFFFAOYSA-N
XLogP2.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine 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 4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine (CID 2911561) is 4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine is Cc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1.
What is the InChIKey of 4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine?
The InChIKey is TUXWDUQDYJRALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-15-3-5-18(6-4-15)23(21,22)20-13-9-17(10-14-20)19-11-7-16(2)8-12-19/h3-6,16-17H,7-14H2,1-2H3.
What are the key properties of 4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine?
4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine has a molecular weight of 336.50 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 2911561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).