3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine

C15H23NO3S — CID 110418161

IUPAC3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
SMILESCCOCC1CCCN(S(=O)(=O)c2cccc(C)c2)C1
InChIInChI=1S/C15H23NO3S/c1-3-19-12-14-7-5-9-16(11-14)20(17,18)15-8-4-6-13(2)10-15/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3
InChIKeySCGAMZZWSWMKMG-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.43
Rot. Bonds5

About 3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine

3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine (PubChem CID 110418161) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
PubChem CID110418161
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
SMILESCCOCC1CCCN(S(=O)(=O)c2cccc(C)c2)C1
InChIInChI=1S/C15H23NO3S/c1-3-19-12-14-7-5-9-16(11-14)20(17,18)15-8-4-6-13(2)10-15/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3
InChIKeySCGAMZZWSWMKMG-UHFFFAOYSA-N
XLogP2.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110602793
3-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80675902
1-(benzenesulfonyl)-3-[(3-methylphenoxy)methyl]piperidine
CID 110410609
N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine
CID 63241431
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110418188
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 110610346
3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine
CID 154796219
(6R)-6-(ethoxymethyl)-8-(3-methylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97462257
1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132771
3-(2-bromoethyl)-1-(3-methylphenyl)sulfonylpyrrolidine
CID 114801831

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine?
The IUPAC name of 3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine (CID 110418161) is 3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine is CCOCC1CCCN(S(=O)(=O)c2cccc(C)c2)C1.
What is the InChIKey of 3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine?
The InChIKey is SCGAMZZWSWMKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-19-12-14-7-5-9-16(11-14)20(17,18)15-8-4-6-13(2)10-15/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine?
3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine has a molecular weight of 297.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 110418161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).