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

C15H23NO3S — CID 40514291

IUPAC(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1
InChIInChI=1S/C15H23NO3S/c1-4-19-14-8-10-15(11-9-14)20(17,18)16-12(2)6-5-7-13(16)3/h8-13H,4-7H2,1-3H3/t12-,13-/m1/s1
InChIKeyXWIVFMQOKHCQHJ-CHWSQXEVSA-N
MW297.42 g/mol
LogP3.04
Rot. Bonds4

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

(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine (PubChem CID 40514291) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is (2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine.

Molecular Properties

Compound Name(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
PubChem CID40514291
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1
InChIInChI=1S/C15H23NO3S/c1-4-19-14-8-10-15(11-9-14)20(17,18)16-12(2)6-5-7-13(16)3/h8-13H,4-7H2,1-3H3/t12-,13-/m1/s1
InChIKeyXWIVFMQOKHCQHJ-CHWSQXEVSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine
CID 63909437
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
ethyl 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 1460101
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide
CID 3226861
(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine
CID 1235136
4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 2920428
N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide
CID 27519574
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol
CID 104969055
(2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine
CID 748027
9-(4-ethoxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719292

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine?
The IUPAC name of (2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine (CID 40514291) is (2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine.
What is the SMILES notation for (2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine?
The canonical SMILES for (2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine is CCOc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1.
What is the InChIKey of (2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine?
The InChIKey is XWIVFMQOKHCQHJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-19-14-8-10-15(11-9-14)20(17,18)16-12(2)6-5-7-13(16)3/h8-13H,4-7H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine?
(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine has a molecular weight of 297.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine is sourced from PubChem (CID 40514291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).