1-methylsulfonyl-4-piperidin-4-ylpiperidine

C11H22N2O2S — CID 4778260

IUPAC1-methylsulfonyl-4-piperidin-4-ylpiperidine
SMILESCS(=O)(=O)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C11H22N2O2S/c1-16(14,15)13-8-4-11(5-9-13)10-2-6-12-7-3-10/h10-12H,2-9H2,1H3
InChIKeyXDTFJXHQMGHGDA-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.66
Rot. Bonds2

About 1-methylsulfonyl-4-piperidin-4-ylpiperidine

1-methylsulfonyl-4-piperidin-4-ylpiperidine (PubChem CID 4778260) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-methylsulfonyl-4-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name1-methylsulfonyl-4-piperidin-4-ylpiperidine
PubChem CID4778260
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-methylsulfonyl-4-piperidin-4-ylpiperidine
SMILESCS(=O)(=O)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C11H22N2O2S/c1-16(14,15)13-8-4-11(5-9-13)10-2-6-12-7-3-10/h10-12H,2-9H2,1H3
InChIKeyXDTFJXHQMGHGDA-UHFFFAOYSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-piperidin-4-ylpiperidine?
The IUPAC name of 1-methylsulfonyl-4-piperidin-4-ylpiperidine (CID 4778260) is 1-methylsulfonyl-4-piperidin-4-ylpiperidine.
What is the SMILES notation for 1-methylsulfonyl-4-piperidin-4-ylpiperidine?
The canonical SMILES for 1-methylsulfonyl-4-piperidin-4-ylpiperidine is CS(=O)(=O)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of 1-methylsulfonyl-4-piperidin-4-ylpiperidine?
The InChIKey is XDTFJXHQMGHGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-16(14,15)13-8-4-11(5-9-13)10-2-6-12-7-3-10/h10-12H,2-9H2,1H3.
What are the key properties of 1-methylsulfonyl-4-piperidin-4-ylpiperidine?
1-methylsulfonyl-4-piperidin-4-ylpiperidine has a molecular weight of 246.38 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-piperidin-4-ylpiperidine is sourced from PubChem (CID 4778260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).