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

C9H16N2O2S — CID 48938698

IUPAC1-(2-methylsulfonylethyl)piperidine-4-carbonitrile
SMILESCS(=O)(=O)CCN1CCC(C#N)CC1
InChIInChI=1S/C9H16N2O2S/c1-14(12,13)7-6-11-4-2-9(8-10)3-5-11/h9H,2-7H2,1H3
InChIKeyCYQPYRAPLDIYTJ-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.27
Rot. Bonds3

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

1-(2-methylsulfonylethyl)piperidine-4-carbonitrile (PubChem CID 48938698) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)piperidine-4-carbonitrile
PubChem CID48938698
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name1-(2-methylsulfonylethyl)piperidine-4-carbonitrile
SMILESCS(=O)(=O)CCN1CCC(C#N)CC1
InChIInChI=1S/C9H16N2O2S/c1-14(12,13)7-6-11-4-2-9(8-10)3-5-11/h9H,2-7H2,1H3
InChIKeyCYQPYRAPLDIYTJ-UHFFFAOYSA-N
XLogP0.27
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-methylsulfonylethyl)piperidine-4-carbonitrile (CID 48938698) is 1-(2-methylsulfonylethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-methylsulfonylethyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-methylsulfonylethyl)piperidine-4-carbonitrile is CS(=O)(=O)CCN1CCC(C#N)CC1.
What is the InChIKey of 1-(2-methylsulfonylethyl)piperidine-4-carbonitrile?
The InChIKey is CYQPYRAPLDIYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-14(12,13)7-6-11-4-2-9(8-10)3-5-11/h9H,2-7H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)piperidine-4-carbonitrile?
1-(2-methylsulfonylethyl)piperidine-4-carbonitrile has a molecular weight of 216.31 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 48938698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).