1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine

C11H22N2O2S — CID 64584376

IUPAC1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine
SMILESCCS(=O)(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C11H22N2O2S/c1-2-16(14,15)13-9-5-6-11(10-13)12-7-3-4-8-12/h11H,2-10H2,1H3
InChIKeyBRKLDDHUGCLNQP-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.90
Rot. Bonds3

About 1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine

1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine (PubChem CID 64584376) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine
PubChem CID64584376
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine
SMILESCCS(=O)(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C11H22N2O2S/c1-2-16(14,15)13-9-5-6-11(10-13)12-7-3-4-8-12/h11H,2-10H2,1H3
InChIKeyBRKLDDHUGCLNQP-UHFFFAOYSA-N
XLogP0.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine (CID 64584376) is 1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine is CCS(=O)(=O)N1CCCC(N2CCCC2)C1.
What is the InChIKey of 1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine?
The InChIKey is BRKLDDHUGCLNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-2-16(14,15)13-9-5-6-11(10-13)12-7-3-4-8-12/h11H,2-10H2,1H3.
What are the key properties of 1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine?
1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine has a molecular weight of 246.38 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 64584376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).