3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide

C19H25N3O2S — CID 110249558

IUPAC3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(c2cccc(Cc3ccccc3)n2)C1
InChIInChI=1S/C19H25N3O2S/c1-21(2)25(23,24)22-13-7-10-17(15-22)19-12-6-11-18(20-19)14-16-8-4-3-5-9-16/h3-6,8-9,11-12,17H,7,10,13-15H2,1-2H3
InChIKeyJJCYPMKJPPBRNI-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.66
Rot. Bonds5

About 3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide

3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 110249558) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID110249558
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(c2cccc(Cc3ccccc3)n2)C1
InChIInChI=1S/C19H25N3O2S/c1-21(2)25(23,24)22-13-7-10-17(15-22)19-12-6-11-18(20-19)14-16-8-4-3-5-9-16/h3-6,8-9,11-12,17H,7,10,13-15H2,1-2H3
InChIKeyJJCYPMKJPPBRNI-UHFFFAOYSA-N
XLogP2.66
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide (CID 110249558) is 3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC(c2cccc(Cc3ccccc3)n2)C1.
What is the InChIKey of 3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is JJCYPMKJPPBRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-21(2)25(23,24)22-13-7-10-17(15-22)19-12-6-11-18(20-19)14-16-8-4-3-5-9-16/h3-6,8-9,11-12,17H,7,10,13-15H2,1-2H3.
What are the key properties of 3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide?
3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 359.50 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-benzyl-2-pyridinyl)-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 110249558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).