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

C10H21NO4S — CID 167107600

IUPAC1-ethylsulfonyl-3-(2-methoxyethoxy)piperidine
SMILESCCS(=O)(=O)N1CCCC(OCCOC)C1
InChIInChI=1S/C10H21NO4S/c1-3-16(12,13)11-6-4-5-10(9-11)15-8-7-14-2/h10H,3-9H2,1-2H3
InChIKeyUMXSQQWJABOPTI-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.46
Rot. Bonds6

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

1-ethylsulfonyl-3-(2-methoxyethoxy)piperidine (PubChem CID 167107600) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-(2-methoxyethoxy)piperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-(2-methoxyethoxy)piperidine
PubChem CID167107600
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name1-ethylsulfonyl-3-(2-methoxyethoxy)piperidine
SMILESCCS(=O)(=O)N1CCCC(OCCOC)C1
InChIInChI=1S/C10H21NO4S/c1-3-16(12,13)11-6-4-5-10(9-11)15-8-7-14-2/h10H,3-9H2,1-2H3
InChIKeyUMXSQQWJABOPTI-UHFFFAOYSA-N
XLogP0.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.46
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-ethylsulfonyl-3-(2-methoxyethoxy)piperidine?
The IUPAC name of 1-ethylsulfonyl-3-(2-methoxyethoxy)piperidine (CID 167107600) is 1-ethylsulfonyl-3-(2-methoxyethoxy)piperidine.
What is the SMILES notation for 1-ethylsulfonyl-3-(2-methoxyethoxy)piperidine?
The canonical SMILES for 1-ethylsulfonyl-3-(2-methoxyethoxy)piperidine is CCS(=O)(=O)N1CCCC(OCCOC)C1.
What is the InChIKey of 1-ethylsulfonyl-3-(2-methoxyethoxy)piperidine?
The InChIKey is UMXSQQWJABOPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-3-16(12,13)11-6-4-5-10(9-11)15-8-7-14-2/h10H,3-9H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-3-(2-methoxyethoxy)piperidine?
1-ethylsulfonyl-3-(2-methoxyethoxy)piperidine has a molecular weight of 251.35 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-(2-methoxyethoxy)piperidine is sourced from PubChem (CID 167107600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).