4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine

C14H28N2O2S — CID 99838345

IUPAC4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine
SMILESCCS(=O)(=O)C1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-2-19(17,18)14-6-10-16(11-7-14)13-12-15-8-4-3-5-9-15/h14H,2-13H2,1H3
InChIKeyMTDZMKYPOHKYKC-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.37
Rot. Bonds5

About 4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine

4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine (PubChem CID 99838345) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine
PubChem CID99838345
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine
SMILESCCS(=O)(=O)C1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-2-19(17,18)14-6-10-16(11-7-14)13-12-15-8-4-3-5-9-15/h14H,2-13H2,1H3
InChIKeyMTDZMKYPOHKYKC-UHFFFAOYSA-N
XLogP1.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine?
The IUPAC name of 4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine (CID 99838345) is 4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine.
What is the SMILES notation for 4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine?
The canonical SMILES for 4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine is CCS(=O)(=O)C1CCN(CCN2CCCCC2)CC1.
What is the InChIKey of 4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine?
The InChIKey is MTDZMKYPOHKYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-2-19(17,18)14-6-10-16(11-7-14)13-12-15-8-4-3-5-9-15/h14H,2-13H2,1H3.
What are the key properties of 4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine?
4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine has a molecular weight of 288.46 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine is sourced from PubChem (CID 99838345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).