1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine

C14H21NO4S — CID 42844226

IUPAC1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H21NO4S/c1-18-10-11-19-13-6-5-9-15(12-13)20(16,17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKeyAOQBWHRIFAZJAT-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.50
Rot. Bonds6

About 1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine

1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine (PubChem CID 42844226) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine
PubChem CID42844226
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H21NO4S/c1-18-10-11-19-13-6-5-9-15(12-13)20(16,17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKeyAOQBWHRIFAZJAT-UHFFFAOYSA-N
XLogP1.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-(3-cyclopentyloxypropyl)piperidine-3-carboxamide
CID 99622037
2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120703129
4-[3-(cyclopropylmethoxy)piperidin-1-yl]sulfonylbenzoic acid
CID 138001382
(3R)-1-[(3R)-1-(benzenesulfonyl)piperidine-3-carbonyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 52531572
(3R)-1-(benzenesulfonyl)-N-[(2R)-1-methoxybut-3-yn-2-yl]piperidine-3-carboxamide
CID 125419378
N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide
CID 95163333
1-[4-(bromomethyl)phenyl]sulfonyl-3-methoxypiperidine
CID 102963933
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970801
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715200
4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261625
(3S)-1-[4-(2-bromoethoxy)phenyl]sulfonyl-3-ethoxypiperidine
CID 97339764
(6R)-4-(4-fluorophenyl)sulfonyl-6-(2-methoxyethoxy)-1,4-oxazepane
CID 75367821

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine?
The IUPAC name of 1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine (CID 42844226) is 1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine is COCCOC1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine?
The InChIKey is AOQBWHRIFAZJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-18-10-11-19-13-6-5-9-15(12-13)20(16,17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine?
1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine has a molecular weight of 299.39 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine is sourced from PubChem (CID 42844226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).