3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine

C21H34N2O2S — CID 118308408

IUPAC3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CC(C)CC(C)C3)CC2)c(C)c1
InChIInChI=1S/C21H34N2O2S/c1-15-11-18(4)21(19(5)12-15)26(24,25)23-8-6-20(7-9-23)22-13-16(2)10-17(3)14-22/h11-12,16-17,20H,6-10,13-14H2,1-5H3
InChIKeyVWUQCAWHPNWPRV-UHFFFAOYSA-N
MW378.58 g/mol
LogP3.74
Rot. Bonds3

About 3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine

3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine (PubChem CID 118308408) has the molecular formula C21H34N2O2S and a molecular weight of 378.58 g/mol. Its IUPAC name is 3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
PubChem CID118308408
Molecular FormulaC21H34N2O2S
Molecular Weight378.58 g/mol
Exact Mass378.23
IUPAC Name3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CC(C)CC(C)C3)CC2)c(C)c1
InChIInChI=1S/C21H34N2O2S/c1-15-11-18(4)21(19(5)12-15)26(24,25)23-8-6-20(7-9-23)22-13-16(2)10-17(3)14-22/h11-12,16-17,20H,6-10,13-14H2,1-5H3
InChIKeyVWUQCAWHPNWPRV-UHFFFAOYSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.58
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
1'-(Mesitylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 91664325
4-Propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308350
1'-([1,1'-Biphenyl]-2-ylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308394
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
4-Adamantanyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperazine
CID 4025879
4-Methyl-1'-(4-trifluoromethyl-benzenesulfonyl)-[1,4']bipiperidinyl
CID 1433359
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
3-(1-(Mesitylsulfonyl)piperidin-4-yl)-6-methyl-1,3-oxazinane
CID 118308349
1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]azepane
CID 118308375
4-Phenyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308393
4-Benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308406

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine (CID 118308408) is 3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine is Cc1cc(C)c(S(=O)(=O)N2CCC(N3CC(C)CC(C)C3)CC2)c(C)c1.
What is the InChIKey of 3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The InChIKey is VWUQCAWHPNWPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2S/c1-15-11-18(4)21(19(5)12-15)26(24,25)23-8-6-20(7-9-23)22-13-16(2)10-17(3)14-22/h11-12,16-17,20H,6-10,13-14H2,1-5H3.
What are the key properties of 3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine has a molecular weight of 378.58 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 118308408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).