2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide

C15H22N2O2S — CID 114694284

IUPAC2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2=CCNCC2)c(C)c1
InChIInChI=1S/C15H22N2O2S/c1-11-8-12(2)15(13(3)9-11)20(18,19)17-10-14-4-6-16-7-5-14/h4,8-9,16-17H,5-7,10H2,1-3H3
InChIKeyALHGHYKFOFGXKU-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.81
Rot. Bonds4

About 2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide

2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 114694284) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
PubChem CID114694284
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2=CCNCC2)c(C)c1
InChIInChI=1S/C15H22N2O2S/c1-11-8-12(2)15(13(3)9-11)20(18,19)17-10-14-4-6-16-7-5-14/h4,8-9,16-17H,5-7,10H2,1-3H3
InChIKeyALHGHYKFOFGXKU-UHFFFAOYSA-N
XLogP1.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide (CID 114694284) is 2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC2=CCNCC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is ALHGHYKFOFGXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-8-12(2)15(13(3)9-11)20(18,19)17-10-14-4-6-16-7-5-14/h4,8-9,16-17H,5-7,10H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide?
2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 114694284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).