1-(2,5-diethoxyphenyl)sulfonylpiperidine

C15H23NO4S — CID 647069

IUPAC1-(2,5-diethoxyphenyl)sulfonylpiperidine
SMILESCCOc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H23NO4S/c1-3-19-13-8-9-14(20-4-2)15(12-13)21(17,18)16-10-6-5-7-11-16/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeyJWMZWJWNUFKZLY-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.66
Rot. Bonds6

About 1-(2,5-diethoxyphenyl)sulfonylpiperidine

1-(2,5-diethoxyphenyl)sulfonylpiperidine (PubChem CID 647069) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)sulfonylpiperidine
PubChem CID647069
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name1-(2,5-diethoxyphenyl)sulfonylpiperidine
SMILESCCOc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H23NO4S/c1-3-19-13-8-9-14(20-4-2)15(12-13)21(17,18)16-10-6-5-7-11-16/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeyJWMZWJWNUFKZLY-UHFFFAOYSA-N
XLogP2.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-(2,5-diethoxyphenyl)sulfonylpiperidine (CID 647069) is 1-(2,5-diethoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(2,5-diethoxyphenyl)sulfonylpiperidine is CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)sulfonylpiperidine?
The InChIKey is JWMZWJWNUFKZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-19-13-8-9-14(20-4-2)15(12-13)21(17,18)16-10-6-5-7-11-16/h8-9,12H,3-7,10-11H2,1-2H3.
What are the key properties of 1-(2,5-diethoxyphenyl)sulfonylpiperidine?
1-(2,5-diethoxyphenyl)sulfonylpiperidine has a molecular weight of 313.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 647069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).