(3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine

C21H34N2O2S — CID 92865643

IUPAC(3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(CN3CCC[C@@H](C)C3)CC2)c(C)c1
InChIInChI=1S/C21H34N2O2S/c1-16-6-5-9-22(14-16)15-20-7-10-23(11-8-20)26(24,25)21-18(3)12-17(2)13-19(21)4/h12-13,16,20H,5-11,14-15H2,1-4H3/t16-/m1/s1
InChIKeyDFYQQMKNCLOQJI-MRXNPFEDSA-N
MW378.58 g/mol
LogP3.74
Rot. Bonds4

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

(3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine (PubChem CID 92865643) has the molecular formula C21H34N2O2S and a molecular weight of 378.58 g/mol. Its IUPAC name is (3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
PubChem CID92865643
Molecular FormulaC21H34N2O2S
Molecular Weight378.58 g/mol
Exact Mass378.23
IUPAC Name(3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(CN3CCC[C@@H](C)C3)CC2)c(C)c1
InChIInChI=1S/C21H34N2O2S/c1-16-6-5-9-22(14-16)15-20-7-10-23(11-8-20)26(24,25)21-18(3)12-17(2)13-19(21)4/h12-13,16,20H,5-11,14-15H2,1-4H3/t16-/m1/s1
InChIKeyDFYQQMKNCLOQJI-MRXNPFEDSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287422
(3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 92865689
1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287394
1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287400
(3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 92865653
(3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 92865667
4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 90493883
2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 11754834
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592
4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol
CID 103896846
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119961271

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine?
The IUPAC name of (3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine (CID 92865643) is (3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine.
What is the SMILES notation for (3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine?
The canonical SMILES for (3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine is Cc1cc(C)c(S(=O)(=O)N2CCC(CN3CCC[C@@H](C)C3)CC2)c(C)c1.
What is the InChIKey of (3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine?
The InChIKey is DFYQQMKNCLOQJI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H34N2O2S/c1-16-6-5-9-22(14-16)15-20-7-10-23(11-8-20)26(24,25)21-18(3)12-17(2)13-19(21)4/h12-13,16,20H,5-11,14-15H2,1-4H3/t16-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine?
(3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine has a molecular weight of 378.58 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine is sourced from PubChem (CID 92865643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).