1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine

C14H28N2O2S — CID 106727939

IUPAC1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine
SMILESCC(C)S(=O)(=O)CCN1CCCCC1C1CCCN1
InChIInChI=1S/C14H28N2O2S/c1-12(2)19(17,18)11-10-16-9-4-3-7-14(16)13-6-5-8-15-13/h12-15H,3-11H2,1-2H3
InChIKeyFWZKJAOPCAYDRQ-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.42
Rot. Bonds5

About 1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine

1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine (PubChem CID 106727939) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine
PubChem CID106727939
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine
SMILESCC(C)S(=O)(=O)CCN1CCCCC1C1CCCN1
InChIInChI=1S/C14H28N2O2S/c1-12(2)19(17,18)11-10-16-9-4-3-7-14(16)13-6-5-8-15-13/h12-15H,3-11H2,1-2H3
InChIKeyFWZKJAOPCAYDRQ-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine (CID 106727939) is 1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine is CC(C)S(=O)(=O)CCN1CCCCC1C1CCCN1.
What is the InChIKey of 1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine?
The InChIKey is FWZKJAOPCAYDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12(2)19(17,18)11-10-16-9-4-3-7-14(16)13-6-5-8-15-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine?
1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine has a molecular weight of 288.46 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfonylethyl)-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 106727939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).