1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine

C14H21NO4S2 — CID 71805707

IUPAC1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1C
InChIInChI=1S/C14H21NO4S2/c1-11-4-5-14(10-12(11)2)21(18,19)15-8-6-13(7-9-15)20(3,16)17/h4-5,10,13H,6-9H2,1-3H3
InChIKeyVVXWQEYNAHKIMO-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.50
Rot. Bonds3

About 1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine

1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine (PubChem CID 71805707) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine
PubChem CID71805707
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1C
InChIInChI=1S/C14H21NO4S2/c1-11-4-5-14(10-12(11)2)21(18,19)15-8-6-13(7-9-15)20(3,16)17/h4-5,10,13H,6-9H2,1-3H3
InChIKeyVVXWQEYNAHKIMO-UHFFFAOYSA-N
XLogP1.50
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine 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-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine (CID 71805707) is 1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine?
The InChIKey is VVXWQEYNAHKIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-11-4-5-14(10-12(11)2)21(18,19)15-8-6-13(7-9-15)20(3,16)17/h4-5,10,13H,6-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine?
1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine has a molecular weight of 331.46 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-4-methylsulfonylpiperidine is sourced from PubChem (CID 71805707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).