(2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine

C14H21NO2S — CID 27764355

IUPAC(2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C)cc1
InChIInChI=1S/C14H21NO2S/c1-11-7-9-14(10-8-11)18(16,17)15-12(2)5-4-6-13(15)3/h7-10,12-13H,4-6H2,1-3H3/t12-,13+
InChIKeyXZYRAPQLDBVPJJ-BETUJISGSA-N
MW267.39 g/mol
LogP2.95
Rot. Bonds2

About (2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine

(2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 27764355) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID27764355
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C)cc1
InChIInChI=1S/C14H21NO2S/c1-11-7-9-14(10-8-11)18(16,17)15-12(2)5-4-6-13(15)3/h7-10,12-13H,4-6H2,1-3H3/t12-,13+
InChIKeyXZYRAPQLDBVPJJ-BETUJISGSA-N
XLogP2.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of (2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine (CID 27764355) is (2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C)cc1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is XZYRAPQLDBVPJJ-BETUJISGSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-7-9-14(10-8-11)18(16,17)15-12(2)5-4-6-13(15)3/h7-10,12-13H,4-6H2,1-3H3/t12-,13+.
What are the key properties of (2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
(2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 267.39 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 27764355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).