1-(3,4-dimethoxyphenyl)sulfonylpiperidine

C13H19NO4S — CID 809754

IUPAC1-(3,4-dimethoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C13H19NO4S/c1-17-12-7-6-11(10-13(12)18-2)19(15,16)14-8-4-3-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyFXSUKMJRXIFFPV-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.88
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)sulfonylpiperidine

1-(3,4-dimethoxyphenyl)sulfonylpiperidine (PubChem CID 809754) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonylpiperidine
PubChem CID809754
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C13H19NO4S/c1-17-12-7-6-11(10-13(12)18-2)19(15,16)14-8-4-3-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyFXSUKMJRXIFFPV-UHFFFAOYSA-N
XLogP1.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethoxyphenyl)sulfonylpiperidine 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 1-(3,4-dimethoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonylpiperidine (CID 809754) is 1-(3,4-dimethoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)N2CCCCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonylpiperidine?
The InChIKey is FXSUKMJRXIFFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-17-12-7-6-11(10-13(12)18-2)19(15,16)14-8-4-3-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonylpiperidine?
1-(3,4-dimethoxyphenyl)sulfonylpiperidine has a molecular weight of 285.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 809754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).