(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine

C13H18INO2S — CID 1235136

IUPAC(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine
SMILESC[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C13H18INO2S/c1-10-4-3-5-11(2)15(10)18(16,17)13-8-6-12(14)7-9-13/h6-11H,3-5H2,1-2H3/t10-,11-/m1/s1
InChIKeyAIWJFPNEBGOQKP-GHMZBOCLSA-N
MW379.26 g/mol
LogP3.24
Rot. Bonds2

About (2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine

(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine (PubChem CID 1235136) has the molecular formula C13H18INO2S and a molecular weight of 379.26 g/mol. Its IUPAC name is (2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine.

Molecular Properties

Compound Name(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine
PubChem CID1235136
Molecular FormulaC13H18INO2S
Molecular Weight379.26 g/mol
Exact Mass379.01
IUPAC Name(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine
SMILESC[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C13H18INO2S/c1-10-4-3-5-11(2)15(10)18(16,17)13-8-6-12(14)7-9-13/h6-11H,3-5H2,1-2H3/t10-,11-/m1/s1
InChIKeyAIWJFPNEBGOQKP-GHMZBOCLSA-N
XLogP3.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 2920428
2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168513063
N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide
CID 27519574
(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
2,4,5-trichloro-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684524
4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 42998815
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanethioamide
CID 104967500

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine?
The IUPAC name of (2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine (CID 1235136) is (2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine.
What is the SMILES notation for (2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine?
The canonical SMILES for (2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine is C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of (2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine?
The InChIKey is AIWJFPNEBGOQKP-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H18INO2S/c1-10-4-3-5-11(2)15(10)18(16,17)13-8-6-12(14)7-9-13/h6-11H,3-5H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine?
(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine has a molecular weight of 379.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine is sourced from PubChem (CID 1235136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).