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

C15H23NO4S — CID 91918300

IUPAC1-benzylsulfonyl-4-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H23NO4S/c1-19-11-12-20-15-7-9-16(10-8-15)21(17,18)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyCHAPQSZWCZJSCK-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.64
Rot. Bonds7

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

1-benzylsulfonyl-4-(2-methoxyethoxy)piperidine (PubChem CID 91918300) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-(2-methoxyethoxy)piperidine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-(2-methoxyethoxy)piperidine
PubChem CID91918300
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name1-benzylsulfonyl-4-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H23NO4S/c1-19-11-12-20-15-7-9-16(10-8-15)21(17,18)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyCHAPQSZWCZJSCK-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
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-benzylsulfonyl-4-(2-methoxyethoxy)piperidine?
The IUPAC name of 1-benzylsulfonyl-4-(2-methoxyethoxy)piperidine (CID 91918300) is 1-benzylsulfonyl-4-(2-methoxyethoxy)piperidine.
What is the SMILES notation for 1-benzylsulfonyl-4-(2-methoxyethoxy)piperidine?
The canonical SMILES for 1-benzylsulfonyl-4-(2-methoxyethoxy)piperidine is COCCOC1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-4-(2-methoxyethoxy)piperidine?
The InChIKey is CHAPQSZWCZJSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-19-11-12-20-15-7-9-16(10-8-15)21(17,18)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3.
What are the key properties of 1-benzylsulfonyl-4-(2-methoxyethoxy)piperidine?
1-benzylsulfonyl-4-(2-methoxyethoxy)piperidine has a molecular weight of 313.42 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-(2-methoxyethoxy)piperidine is sourced from PubChem (CID 91918300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).