(1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone

C11H20N2O3S — CID 774896

IUPAC(1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C11H20N2O3S/c1-17(15,16)13-8-4-10(5-9-13)11(14)12-6-2-3-7-12/h10H,2-9H2,1H3
InChIKeySBDOTKOQBIYUCQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.28
Rot. Bonds2

About (1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone

(1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 774896) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID774896
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C11H20N2O3S/c1-17(15,16)13-8-4-10(5-9-13)11(14)12-6-2-3-7-12/h10H,2-9H2,1H3
InChIKeySBDOTKOQBIYUCQ-UHFFFAOYSA-N
XLogP0.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone (CID 774896) is (1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone is CS(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is SBDOTKOQBIYUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-17(15,16)13-8-4-10(5-9-13)11(14)12-6-2-3-7-12/h10H,2-9H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
(1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 260.36 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 774896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).