[4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone

C21H25NO3S — CID 6461179

IUPAC[4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25NO3S/c1-16-7-6-8-17(2)22(16)21(23)19-13-11-18(12-14-19)15-26(24,25)20-9-4-3-5-10-20/h3-5,9-14,16-17H,6-8,15H2,1-2H3
InChIKeyWFNNVXMEWOIHCP-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.06
Rot. Bonds4

About [4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone

[4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 6461179) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is [4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID6461179
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC Name[4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25NO3S/c1-16-7-6-8-17(2)22(16)21(23)19-13-11-18(12-14-19)15-26(24,25)20-9-4-3-5-10-20/h3-5,9-14,16-17H,6-8,15H2,1-2H3
InChIKeyWFNNVXMEWOIHCP-UHFFFAOYSA-N
XLogP4.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone 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-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone (CID 6461179) is [4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone is CC1CCCC(C)N1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is WFNNVXMEWOIHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-16-7-6-8-17(2)22(16)21(23)19-13-11-18(12-14-19)15-26(24,25)20-9-4-3-5-10-20/h3-5,9-14,16-17H,6-8,15H2,1-2H3.
What are the key properties of [4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone?
[4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 371.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonylmethyl)phenyl]-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 6461179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).