(2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine

C15H23NO4S — CID 170943532

IUPAC(2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine
SMILESCCON1CCCC[C@H]1COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO4S/c1-3-20-16-11-5-4-6-13(16)12-19-14-7-9-15(10-8-14)21(2,17)18/h7-10,13H,3-6,11-12H2,1-2H3/t13-/m0/s1
InChIKeySQGQAUOXPQDQHX-ZDUSSCGKSA-N
MW313.42 g/mol
LogP2.27
Rot. Bonds6

About (2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine

(2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine (PubChem CID 170943532) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine
PubChem CID170943532
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name(2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine
SMILESCCON1CCCC[C@H]1COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO4S/c1-3-20-16-11-5-4-6-13(16)12-19-14-7-9-15(10-8-14)21(2,17)18/h7-10,13H,3-6,11-12H2,1-2H3/t13-/m0/s1
InChIKeySQGQAUOXPQDQHX-ZDUSSCGKSA-N
XLogP2.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine?
The IUPAC name of (2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine (CID 170943532) is (2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine.
What is the SMILES notation for (2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine?
The canonical SMILES for (2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine is CCON1CCCC[C@H]1COc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine?
The InChIKey is SQGQAUOXPQDQHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-20-16-11-5-4-6-13(16)12-19-14-7-9-15(10-8-14)21(2,17)18/h7-10,13H,3-6,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine?
(2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine has a molecular weight of 313.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethoxy-2-[(4-methylsulfonylphenoxy)methyl]piperidine is sourced from PubChem (CID 170943532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).