2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine

C17H27NO2S — CID 57182545

IUPAC2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine
SMILESCC1(C)CCCC(C)(C)N1S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C17H27NO2S/c1-16(2)12-8-13-17(3,4)18(16)21(19,20)14-11-15-9-6-5-7-10-15/h5-7,9-10H,8,11-14H2,1-4H3
InChIKeyNJQKQEOJZUUFPE-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.60
Rot. Bonds4

About 2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine

2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine (PubChem CID 57182545) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine
PubChem CID57182545
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine
SMILESCC1(C)CCCC(C)(C)N1S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C17H27NO2S/c1-16(2)12-8-13-17(3,4)18(16)21(19,20)14-11-15-9-6-5-7-10-15/h5-7,9-10H,8,11-14H2,1-4H3
InChIKeyNJQKQEOJZUUFPE-UHFFFAOYSA-N
XLogP3.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine (CID 57182545) is 2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine is CC1(C)CCCC(C)(C)N1S(=O)(=O)CCc1ccccc1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine?
The InChIKey is NJQKQEOJZUUFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-16(2)12-8-13-17(3,4)18(16)21(19,20)14-11-15-9-6-5-7-10-15/h5-7,9-10H,8,11-14H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine?
2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine has a molecular weight of 309.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine is sourced from PubChem (CID 57182545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).