3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine

C14H21NO4S — CID 121092316

IUPAC3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOCC1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C14H21NO4S/c1-18-11-12-4-3-9-15(10-12)20(16,17)14-7-5-13(19-2)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyIEQUADNVLVLLCP-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.74
Rot. Bonds5

About 3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine

3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine (PubChem CID 121092316) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
PubChem CID121092316
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOCC1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C14H21NO4S/c1-18-11-12-4-3-9-15(10-12)20(16,17)14-7-5-13(19-2)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyIEQUADNVLVLLCP-UHFFFAOYSA-N
XLogP1.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol
CID 106589877
N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106588733
1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
CID 110869927
(3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 125006262
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002
3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 110638702
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide
CID 90813340
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine (CID 121092316) is 3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine is COCC1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of 3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine?
The InChIKey is IEQUADNVLVLLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-18-11-12-4-3-9-15(10-12)20(16,17)14-7-5-13(19-2)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine?
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine has a molecular weight of 299.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 121092316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).