3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine

C16H25NO4S — CID 47958271

IUPAC3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
SMILESCCOC1CCCN(S(=O)(=O)c2cc(C)c(OC)cc2C)C1
InChIInChI=1S/C16H25NO4S/c1-5-21-14-7-6-8-17(11-14)22(18,19)16-10-12(2)15(20-4)9-13(16)3/h9-10,14H,5-8,11H2,1-4H3
InChIKeyOEJTXCWZYSRDFN-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.50
Rot. Bonds5

About 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine

3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine (PubChem CID 47958271) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
PubChem CID47958271
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
SMILESCCOC1CCCN(S(=O)(=O)c2cc(C)c(OC)cc2C)C1
InChIInChI=1S/C16H25NO4S/c1-5-21-14-7-6-8-17(11-14)22(18,19)16-10-12(2)15(20-4)9-13(16)3/h9-10,14H,5-8,11H2,1-4H3
InChIKeyOEJTXCWZYSRDFN-UHFFFAOYSA-N
XLogP2.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
CID 119959644
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972005
1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-3-yl]azepane
CID 86900555
[(1S,5S,6S)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
CID 139020947
cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818749
[(3R,4R)-4-[(dimethylamino)methyl]-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 86283254
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962598
1-ethyl-4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazine
CID 6464192
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708150

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine?
The IUPAC name of 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine (CID 47958271) is 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine is CCOC1CCCN(S(=O)(=O)c2cc(C)c(OC)cc2C)C1.
What is the InChIKey of 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine?
The InChIKey is OEJTXCWZYSRDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-5-21-14-7-6-8-17(11-14)22(18,19)16-10-12(2)15(20-4)9-13(16)3/h9-10,14H,5-8,11H2,1-4H3.
What are the key properties of 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine?
3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine has a molecular weight of 327.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 47958271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).