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

C15H23NO4S — CID 61061068

IUPAC1-(benzenesulfonyl)-4-(2-ethoxyethoxy)piperidine
SMILESCCOCCOC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H23NO4S/c1-2-19-12-13-20-14-8-10-16(11-9-14)21(17,18)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3
InChIKeyUHSWOLLKNRRSDO-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.89
Rot. Bonds7

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

1-(benzenesulfonyl)-4-(2-ethoxyethoxy)piperidine (PubChem CID 61061068) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(2-ethoxyethoxy)piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(2-ethoxyethoxy)piperidine
PubChem CID61061068
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name1-(benzenesulfonyl)-4-(2-ethoxyethoxy)piperidine
SMILESCCOCCOC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H23NO4S/c1-2-19-12-13-20-14-8-10-16(11-9-14)21(17,18)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3
InChIKeyUHSWOLLKNRRSDO-UHFFFAOYSA-N
XLogP1.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.89
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-ethoxyethoxy)piperidine?
The IUPAC name of 1-(benzenesulfonyl)-4-(2-ethoxyethoxy)piperidine (CID 61061068) is 1-(benzenesulfonyl)-4-(2-ethoxyethoxy)piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(2-ethoxyethoxy)piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(2-ethoxyethoxy)piperidine is CCOCCOC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(2-ethoxyethoxy)piperidine?
The InChIKey is UHSWOLLKNRRSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-2-19-12-13-20-14-8-10-16(11-9-14)21(17,18)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-(2-ethoxyethoxy)piperidine?
1-(benzenesulfonyl)-4-(2-ethoxyethoxy)piperidine has a molecular weight of 313.42 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(2-ethoxyethoxy)piperidine is sourced from PubChem (CID 61061068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).