4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine

C19H30N2O2S — CID 118308436

IUPAC4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C19H30N2O2S/c1-15-13-16(2)19(17(3)14-15)24(22,23)21-11-7-18(8-12-21)20-9-5-4-6-10-20/h13-14,18H,4-12H2,1-3H3
InChIKeyRVSZMGFEQZBRED-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.25
Rot. Bonds3

About 4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine

4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine (PubChem CID 118308436) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
PubChem CID118308436
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C19H30N2O2S/c1-15-13-16(2)19(17(3)14-15)24(22,23)21-11-7-18(8-12-21)20-9-5-4-6-10-20/h13-14,18H,4-12H2,1-3H3
InChIKeyRVSZMGFEQZBRED-UHFFFAOYSA-N
XLogP3.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.25
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-Methyl-1'-(4-trifluoromethyl-benzenesulfonyl)-[1,4']bipiperidinyl
CID 1433359
1-(4-Methyl benzene)-sulfonyl-cis-2,6-dimethylpiperidine
CID 27764355
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 4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The IUPAC name of 4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine (CID 118308436) is 4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine is Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c(C)c1.
What is the InChIKey of 4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The InChIKey is RVSZMGFEQZBRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-15-13-16(2)19(17(3)14-15)24(22,23)21-11-7-18(8-12-21)20-9-5-4-6-10-20/h13-14,18H,4-12H2,1-3H3.
What are the key properties of 4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine has a molecular weight of 350.53 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 118308436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).