2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol

C15H23NO3S — CID 104969055

IUPAC2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(CCO)cc1
InChIInChI=1S/C15H23NO3S/c1-12-4-3-5-13(2)16(12)20(18,19)15-8-6-14(7-9-15)10-11-17/h6-9,12-13,17H,3-5,10-11H2,1-2H3/t12-,13+
InChIKeyQIKUXCLIHVWRFC-BETUJISGSA-N
MW297.42 g/mol
LogP2.17
Rot. Bonds4

About 2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol

2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol (PubChem CID 104969055) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol
PubChem CID104969055
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(CCO)cc1
InChIInChI=1S/C15H23NO3S/c1-12-4-3-5-13(2)16(12)20(18,19)15-8-6-14(7-9-15)10-11-17/h6-9,12-13,17H,3-5,10-11H2,1-2H3/t12-,13+
InChIKeyQIKUXCLIHVWRFC-BETUJISGSA-N
XLogP2.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanethioamide
CID 104967500
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine
CID 1235136
4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 2920428
(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
CID 40514291
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide
CID 3226861
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2836734
2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168513063
N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide
CID 27519574
[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090598
ethyl 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 1460101

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol?
The IUPAC name of 2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol (CID 104969055) is 2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol.
What is the SMILES notation for 2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol?
The canonical SMILES for 2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol is C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol?
The InChIKey is QIKUXCLIHVWRFC-BETUJISGSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12-4-3-5-13(2)16(12)20(18,19)15-8-6-14(7-9-15)10-11-17/h6-9,12-13,17H,3-5,10-11H2,1-2H3/t12-,13+.
What are the key properties of 2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol?
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol has a molecular weight of 297.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol is sourced from PubChem (CID 104969055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).