5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one

C11H18N2O4S — CID 90586478

IUPAC5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCS(=O)(=O)C1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C11H18N2O4S/c1-18(16,17)8-4-6-13(7-5-8)11(15)9-2-3-10(14)12-9/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyOESWSMXZZLVHID-UHFFFAOYSA-N
MW274.34 g/mol
LogP-0.70
Rot. Bonds2

About 5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one

5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 90586478) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID90586478
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCS(=O)(=O)C1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C11H18N2O4S/c1-18(16,17)8-4-6-13(7-5-8)11(15)9-2-3-10(14)12-9/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyOESWSMXZZLVHID-UHFFFAOYSA-N
XLogP-0.70
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 90586478) is 5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one is CS(=O)(=O)C1CCN(C(=O)C2CCC(=O)N2)CC1.
What is the InChIKey of 5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is OESWSMXZZLVHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-18(16,17)8-4-6-13(7-5-8)11(15)9-2-3-10(14)12-9/h8-9H,2-7H2,1H3,(H,12,14).
What are the key properties of 5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one?
5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 274.34 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 90586478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).