1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine

C11H22N2O2S — CID 90877511

IUPAC1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
SMILESO=S(=O)(CCN1CCCC1)N1CCCCC1
InChIInChI=1S/C11H22N2O2S/c14-16(15,13-8-2-1-3-9-13)11-10-12-6-4-5-7-12/h1-11H2
InChIKeyFKYZTXGAFVXYCB-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.90
Rot. Bonds4

About 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine

1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine (PubChem CID 90877511) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
PubChem CID90877511
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
SMILESO=S(=O)(CCN1CCCC1)N1CCCCC1
InChIInChI=1S/C11H22N2O2S/c14-16(15,13-8-2-1-3-9-13)11-10-12-6-4-5-7-12/h1-11H2
InChIKeyFKYZTXGAFVXYCB-UHFFFAOYSA-N
XLogP0.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

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1-(2-ethylsulfonylethyl)azocane
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CID 165475141
1-(2-methylsulfonylethylsulfonyl)azepane
CID 64592112
1-(3-methylbutylsulfonyl)piperidine
CID 58689013
4-(azepan-1-ylsulfonyl)butan-1-amine
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CID 59175965
CID 59175965
2-[[8,15-bis(2-trimethylsilylethylsulfonyl)-1,8,15-triazacyclohenicos-1-yl]sulfonyl]ethyl-trimethylsilane
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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine?
The IUPAC name of 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine (CID 90877511) is 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine is O=S(=O)(CCN1CCCC1)N1CCCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine?
The InChIKey is FKYZTXGAFVXYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c14-16(15,13-8-2-1-3-9-13)11-10-12-6-4-5-7-12/h1-11H2.
What are the key properties of 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine?
1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine has a molecular weight of 246.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine is sourced from PubChem (CID 90877511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).