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

C12H24N2O2S — CID 59862721

IUPAC4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)CCN2CCCC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-12-4-8-14(9-5-12)17(15,16)11-10-13-6-2-3-7-13/h12H,2-11H2,1H3
InChIKeyBCIVZWBSPWRRGR-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.14
Rot. Bonds4

About 4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine

4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine (PubChem CID 59862721) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
PubChem CID59862721
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)CCN2CCCC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-12-4-8-14(9-5-12)17(15,16)11-10-13-6-2-3-7-13/h12H,2-11H2,1H3
InChIKeyBCIVZWBSPWRRGR-UHFFFAOYSA-N
XLogP1.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine?
The IUPAC name of 4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine (CID 59862721) is 4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine.
What is the SMILES notation for 4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine?
The canonical SMILES for 4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine is CC1CCN(S(=O)(=O)CCN2CCCC2)CC1.
What is the InChIKey of 4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine?
The InChIKey is BCIVZWBSPWRRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12-4-8-14(9-5-12)17(15,16)11-10-13-6-2-3-7-13/h12H,2-11H2,1H3.
What are the key properties of 4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine?
4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine has a molecular weight of 260.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine is sourced from PubChem (CID 59862721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).