1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine

C19H30N2O2S — CID 46287318

IUPAC1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(CN3CCCCC3)CC2)cc1C
InChIInChI=1S/C19H30N2O2S/c1-16-6-7-19(14-17(16)2)24(22,23)21-12-8-18(9-13-21)15-20-10-4-3-5-11-20/h6-7,14,18H,3-5,8-13,15H2,1-2H3
InChIKeyDZUPBQYOALKACA-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.19
Rot. Bonds4

About 1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine

1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine (PubChem CID 46287318) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
PubChem CID46287318
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(CN3CCCCC3)CC2)cc1C
InChIInChI=1S/C19H30N2O2S/c1-16-6-7-19(14-17(16)2)24(22,23)21-12-8-18(9-13-21)15-20-10-4-3-5-11-20/h6-7,14,18H,3-5,8-13,15H2,1-2H3
InChIKeyDZUPBQYOALKACA-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]methyl]azepane
CID 50848210
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
[(3S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 159366004
1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17468522
1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine
CID 60819969
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
CID 6499792
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
1-(3,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799629

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine (CID 46287318) is 1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine is Cc1ccc(S(=O)(=O)N2CCC(CN3CCCCC3)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
The InChIKey is DZUPBQYOALKACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-16-6-7-19(14-17(16)2)24(22,23)21-12-8-18(9-13-21)15-20-10-4-3-5-11-20/h6-7,14,18H,3-5,8-13,15H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine has a molecular weight of 350.53 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine is sourced from PubChem (CID 46287318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).