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

C14H21NO4S — CID 121092334

IUPAC3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
SMILESCOCC1CCCN(S(=O)(=O)c2cccc(OC)c2)C1
InChIInChI=1S/C14H21NO4S/c1-18-11-12-5-4-8-15(10-12)20(16,17)14-7-3-6-13(9-14)19-2/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3
InChIKeyUQTNQCKIHZYVIC-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.74
Rot. Bonds5

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

3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine (PubChem CID 121092334) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
PubChem CID121092334
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
SMILESCOCC1CCCN(S(=O)(=O)c2cccc(OC)c2)C1
InChIInChI=1S/C14H21NO4S/c1-18-11-12-5-4-8-15(10-12)20(16,17)14-7-3-6-13(9-14)19-2/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3
InChIKeyUQTNQCKIHZYVIC-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

3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone
CID 99938997
1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
CID 110869927
3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 110418161
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
1-(benzenesulfonyl)-3-[(3-methylphenoxy)methyl]piperidine
CID 110410609
1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine
CID 91909491
4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine
CID 124956425
N-[[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211982
N-[[(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211401
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol
CID 106589877
1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410419

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine (CID 121092334) is 3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine is COCC1CCCN(S(=O)(=O)c2cccc(OC)c2)C1.
What is the InChIKey of 3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine?
The InChIKey is UQTNQCKIHZYVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-18-11-12-5-4-8-15(10-12)20(16,17)14-7-3-6-13(9-14)19-2/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine?
3-(methoxymethyl)-1-(3-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-(3-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 121092334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).