(2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine

C17H27NO2S — CID 1086746

IUPAC(2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2S/c1-13-7-6-8-14(2)18(13)21(19,20)16-11-9-15(10-12-16)17(3,4)5/h9-14H,6-8H2,1-5H3/t13-,14+
InChIKeyHOUVPLOZMHLJPB-OKILXGFUSA-N
MW309.48 g/mol
LogP3.94
Rot. Bonds2

About (2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine

(2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine (PubChem CID 1086746) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is (2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine.

Molecular Properties

Compound Name(2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine
PubChem CID1086746
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name(2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2S/c1-13-7-6-8-14(2)18(13)21(19,20)16-11-9-15(10-12-16)17(3,4)5/h9-14H,6-8H2,1-5H3/t13-,14+
InChIKeyHOUVPLOZMHLJPB-OKILXGFUSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine?
The IUPAC name of (2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine (CID 1086746) is (2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine.
What is the SMILES notation for (2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine?
The canonical SMILES for (2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine is C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine?
The InChIKey is HOUVPLOZMHLJPB-OKILXGFUSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-13-7-6-8-14(2)18(13)21(19,20)16-11-9-15(10-12-16)17(3,4)5/h9-14H,6-8H2,1-5H3/t13-,14+.
What are the key properties of (2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine?
(2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine has a molecular weight of 309.48 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-(4-tert-butylphenyl)sulfonyl-2,6-dimethylpiperidine is sourced from PubChem (CID 1086746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).