5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide

C9H17N3O3S — CID 168718088

IUPAC5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(C2CCNCC2)C1
InChIInChI=1S/C9H17N3O3S/c10-16(14,15)8-5-9(13)12(6-8)7-1-3-11-4-2-7/h7-8,11H,1-6H2,(H2,10,14,15)
InChIKeyMZRWZXKVOXPWRL-UHFFFAOYSA-N
MW247.32 g/mol
LogP-1.37
Rot. Bonds2

About 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide

5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide (PubChem CID 168718088) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide
PubChem CID168718088
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(C2CCNCC2)C1
InChIInChI=1S/C9H17N3O3S/c10-16(14,15)8-5-9(13)12(6-8)7-1-3-11-4-2-7/h7-8,11H,1-6H2,(H2,10,14,15)
InChIKeyMZRWZXKVOXPWRL-UHFFFAOYSA-N
XLogP-1.37
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide (CID 168718088) is 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(C2CCNCC2)C1.
What is the InChIKey of 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide?
The InChIKey is MZRWZXKVOXPWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c10-16(14,15)8-5-9(13)12(6-8)7-1-3-11-4-2-7/h7-8,11H,1-6H2,(H2,10,14,15).
What are the key properties of 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide?
5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).