1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine

C20H25NO5S — CID 110410424

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(COc3ccccc3)C2)c1
InChIInChI=1S/C20H25NO5S/c1-24-18-10-11-19(25-2)20(13-18)27(22,23)21-12-6-7-16(14-21)15-26-17-8-4-3-5-9-17/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3
InChIKeyCFFHSKMTRHLJOR-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.18
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine

1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine (PubChem CID 110410424) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine
PubChem CID110410424
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(COc3ccccc3)C2)c1
InChIInChI=1S/C20H25NO5S/c1-24-18-10-11-19(25-2)20(13-18)27(22,23)21-12-6-7-16(14-21)15-26-17-8-4-3-5-9-17/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3
InChIKeyCFFHSKMTRHLJOR-UHFFFAOYSA-N
XLogP3.18
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410419
1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62534672
1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 86972427
3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine
CID 110410428
1-(benzenesulfonyl)-3-[(3-methylphenoxy)methyl]piperidine
CID 110410609
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43589701
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147234
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 7453392
2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine
CID 51335834
2-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzonitrile
CID 110638544
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine (CID 110410424) is 1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine is COc1ccc(OC)c(S(=O)(=O)N2CCCC(COc3ccccc3)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine?
The InChIKey is CFFHSKMTRHLJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-24-18-10-11-19(25-2)20(13-18)27(22,23)21-12-6-7-16(14-21)15-26-17-8-4-3-5-9-17/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine?
1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine has a molecular weight of 391.49 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine is sourced from PubChem (CID 110410424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).