1-(benzenesulfonyl)-4-(2-methoxyethoxy)piperidine

C14H21NO4S — CID 91918297

IUPAC1-(benzenesulfonyl)-4-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H21NO4S/c1-18-11-12-19-13-7-9-15(10-8-13)20(16,17)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyAONAUIHTEKQKBB-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.50
Rot. Bonds6

About 1-(benzenesulfonyl)-4-(2-methoxyethoxy)piperidine

1-(benzenesulfonyl)-4-(2-methoxyethoxy)piperidine (PubChem CID 91918297) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(2-methoxyethoxy)piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(2-methoxyethoxy)piperidine
PubChem CID91918297
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-(benzenesulfonyl)-4-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H21NO4S/c1-18-11-12-19-13-7-9-15(10-8-13)20(16,17)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyAONAUIHTEKQKBB-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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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(2-methoxyethoxy)piperidine?
The IUPAC name of 1-(benzenesulfonyl)-4-(2-methoxyethoxy)piperidine (CID 91918297) is 1-(benzenesulfonyl)-4-(2-methoxyethoxy)piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(2-methoxyethoxy)piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(2-methoxyethoxy)piperidine is COCCOC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(2-methoxyethoxy)piperidine?
The InChIKey is AONAUIHTEKQKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-18-11-12-19-13-7-9-15(10-8-13)20(16,17)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-(2-methoxyethoxy)piperidine?
1-(benzenesulfonyl)-4-(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)-4-(2-methoxyethoxy)piperidine is sourced from PubChem (CID 91918297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).