(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine

C13H19NO2S — CID 726586

IUPAC(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO2S/c1-11-7-6-8-12(2)14(11)17(15,16)13-9-4-3-5-10-13/h3-5,9-12H,6-8H2,1-2H3/t11-,12+
InChIKeyJINDARNDFYFWDT-TXEJJXNPSA-N
MW253.37 g/mol
LogP2.64
Rot. Bonds2

About (2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine

(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine (PubChem CID 726586) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine.

Molecular Properties

Compound Name(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
PubChem CID726586
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO2S/c1-11-7-6-8-12(2)14(11)17(15,16)13-9-4-3-5-10-13/h3-5,9-12H,6-8H2,1-2H3/t11-,12+
InChIKeyJINDARNDFYFWDT-TXEJJXNPSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine
CID 1235136
4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 2920428
2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168513063
(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine
CID 59100228
(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
CID 40514291
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol
CID 104969055
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide
CID 3226861
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2836734
N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide
CID 3226867
N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide
CID 27519574
2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 3253254

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine?
The IUPAC name of (2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine (CID 726586) is (2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine.
What is the SMILES notation for (2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine?
The canonical SMILES for (2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine is C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine?
The InChIKey is JINDARNDFYFWDT-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11-7-6-8-12(2)14(11)17(15,16)13-9-4-3-5-10-13/h3-5,9-12H,6-8H2,1-2H3/t11-,12+.
What are the key properties of (2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine?
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine has a molecular weight of 253.37 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine is sourced from PubChem (CID 726586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).