2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide

C19H32N2O2S — CID 52858023

IUPAC2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCCCN1CCC(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1
InChIInChI=1S/C19H32N2O2S/c1-6-9-21-10-7-18(8-11-21)13-20-24(22,23)19-16(4)14(2)12-15(3)17(19)5/h12,18,20H,6-11,13H2,1-5H3
InChIKeyYMIMULCDWTZCST-UHFFFAOYSA-N
MW352.54 g/mol
LogP3.32
Rot. Bonds6

About 2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 52858023) has the molecular formula C19H32N2O2S and a molecular weight of 352.54 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID52858023
Molecular FormulaC19H32N2O2S
Molecular Weight352.54 g/mol
Exact Mass352.22
IUPAC Name2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCCCN1CCC(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1
InChIInChI=1S/C19H32N2O2S/c1-6-9-21-10-7-18(8-11-21)13-20-24(22,23)19-16(4)14(2)12-15(3)17(19)5/h12,18,20H,6-11,13H2,1-5H3
InChIKeyYMIMULCDWTZCST-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide 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 2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide (CID 52858023) is 2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide is CCCN1CCC(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is YMIMULCDWTZCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2S/c1-6-9-21-10-7-18(8-11-21)13-20-24(22,23)19-16(4)14(2)12-15(3)17(19)5/h12,18,20H,6-11,13H2,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 352.54 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 52858023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).