1-(2,5-diethoxyphenyl)sulfonyl-2-methylpiperidine

C16H25NO4S — CID 652255

IUPAC1-(2,5-diethoxyphenyl)sulfonyl-2-methylpiperidine
SMILESCCOc1ccc(OCC)c(S(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C16H25NO4S/c1-4-20-14-9-10-15(21-5-2)16(12-14)22(18,19)17-11-7-6-8-13(17)3/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyWEOIARJVTJPTGB-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.05
Rot. Bonds6

About 1-(2,5-diethoxyphenyl)sulfonyl-2-methylpiperidine

1-(2,5-diethoxyphenyl)sulfonyl-2-methylpiperidine (PubChem CID 652255) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)sulfonyl-2-methylpiperidine
PubChem CID652255
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name1-(2,5-diethoxyphenyl)sulfonyl-2-methylpiperidine
SMILESCCOc1ccc(OCC)c(S(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C16H25NO4S/c1-4-20-14-9-10-15(21-5-2)16(12-14)22(18,19)17-11-7-6-8-13(17)3/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyWEOIARJVTJPTGB-UHFFFAOYSA-N
XLogP3.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.05
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)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(2,5-diethoxyphenyl)sulfonyl-2-methylpiperidine (CID 652255) is 1-(2,5-diethoxyphenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(2,5-diethoxyphenyl)sulfonyl-2-methylpiperidine is CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCC2C)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)sulfonyl-2-methylpiperidine?
The InChIKey is WEOIARJVTJPTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-4-20-14-9-10-15(21-5-2)16(12-14)22(18,19)17-11-7-6-8-13(17)3/h9-10,12-13H,4-8,11H2,1-3H3.
What are the key properties of 1-(2,5-diethoxyphenyl)sulfonyl-2-methylpiperidine?
1-(2,5-diethoxyphenyl)sulfonyl-2-methylpiperidine has a molecular weight of 327.45 g/mol, XLogP of 3.05, 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)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 652255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).