4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile

C11H20N2O3S — CID 114284237

IUPAC4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile
SMILESCCOC1(C#N)CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H20N2O3S/c1-3-16-11(10-12)4-6-13(7-5-11)8-9-17(2,14)15/h3-9H2,1-2H3
InChIKeyIIUNJPIPJYEPFM-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.43
Rot. Bonds5

About 4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile

4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile (PubChem CID 114284237) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile
PubChem CID114284237
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile
SMILESCCOC1(C#N)CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H20N2O3S/c1-3-16-11(10-12)4-6-13(7-5-11)8-9-17(2,14)15/h3-9H2,1-2H3
InChIKeyIIUNJPIPJYEPFM-UHFFFAOYSA-N
XLogP0.43
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile?
The IUPAC name of 4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile (CID 114284237) is 4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile is CCOC1(C#N)CCN(CCS(C)(=O)=O)CC1.
What is the InChIKey of 4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile?
The InChIKey is IIUNJPIPJYEPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-16-11(10-12)4-6-13(7-5-11)8-9-17(2,14)15/h3-9H2,1-2H3.
What are the key properties of 4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile?
4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile has a molecular weight of 260.36 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 114284237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).