4-ethoxy-1-methylsulfonylpiperidine

C8H17NO3S — CID 61222777

IUPAC4-ethoxy-1-methylsulfonylpiperidine
SMILESCCOC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H17NO3S/c1-3-12-8-4-6-9(7-5-8)13(2,10)11/h8H,3-7H2,1-2H3
InChIKeyPJDFEJCVQGUEHJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds3

About 4-ethoxy-1-methylsulfonylpiperidine

4-ethoxy-1-methylsulfonylpiperidine (PubChem CID 61222777) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-ethoxy-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-ethoxy-1-methylsulfonylpiperidine
PubChem CID61222777
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4-ethoxy-1-methylsulfonylpiperidine
SMILESCCOC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H17NO3S/c1-3-12-8-4-6-9(7-5-8)13(2,10)11/h8H,3-7H2,1-2H3
InChIKeyPJDFEJCVQGUEHJ-UHFFFAOYSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methylsulfonylpiperidine?
The IUPAC name of 4-ethoxy-1-methylsulfonylpiperidine (CID 61222777) is 4-ethoxy-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-ethoxy-1-methylsulfonylpiperidine?
The canonical SMILES for 4-ethoxy-1-methylsulfonylpiperidine is CCOC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-ethoxy-1-methylsulfonylpiperidine?
The InChIKey is PJDFEJCVQGUEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-12-8-4-6-9(7-5-8)13(2,10)11/h8H,3-7H2,1-2H3.
What are the key properties of 4-ethoxy-1-methylsulfonylpiperidine?
4-ethoxy-1-methylsulfonylpiperidine has a molecular weight of 207.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-methylsulfonylpiperidine is sourced from PubChem (CID 61222777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).