1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine

C17H21NO3S — CID 786091

IUPAC1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine
SMILESCCOc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2c1
InChIInChI=1S/C17H21NO3S/c1-2-21-16-8-6-15-13-17(9-7-14(15)12-16)22(19,20)18-10-4-3-5-11-18/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyOEHCYXGQDZBGFO-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.41
Rot. Bonds4

About 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine

1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine (PubChem CID 786091) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine
PubChem CID786091
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine
SMILESCCOc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2c1
InChIInChI=1S/C17H21NO3S/c1-2-21-16-8-6-15-13-17(9-7-14(15)12-16)22(19,20)18-10-4-3-5-11-18/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyOEHCYXGQDZBGFO-UHFFFAOYSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine?
The IUPAC name of 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine (CID 786091) is 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine?
The canonical SMILES for 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine is CCOc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2c1.
What is the InChIKey of 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine?
The InChIKey is OEHCYXGQDZBGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-2-21-16-8-6-15-13-17(9-7-14(15)12-16)22(19,20)18-10-4-3-5-11-18/h6-9,12-13H,2-5,10-11H2,1H3.
What are the key properties of 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine?
1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine has a molecular weight of 319.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 786091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).