1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine

C14H21NO3S — CID 646254

IUPAC1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C14H21NO3S/c1-11-6-8-15(9-7-11)19(16,17)14-10-12(2)4-5-13(14)18-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyOZDMKLZMIGVQLR-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.42
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine

1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine (PubChem CID 646254) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
PubChem CID646254
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C14H21NO3S/c1-11-6-8-15(9-7-11)19(16,17)14-10-12(2)4-5-13(14)18-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyOZDMKLZMIGVQLR-UHFFFAOYSA-N
XLogP2.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine 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-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine (CID 646254) is 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine is COc1ccc(C)cc1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine?
The InChIKey is OZDMKLZMIGVQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-6-8-15(9-7-11)19(16,17)14-10-12(2)4-5-13(14)18-3/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine?
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine has a molecular weight of 283.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 646254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).