3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide

C11H21N3O3S — CID 62491451

IUPAC3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2CCC(=O)NC2)C1
InChIInChI=1S/C11H21N3O3S/c1-9-3-2-6-14(8-9)18(16,17)13-10-4-5-11(15)12-7-10/h9-10,13H,2-8H2,1H3,(H,12,15)
InChIKeyWAQNSTVTOXCVJE-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.17
Rot. Bonds3

About 3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide

3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide (PubChem CID 62491451) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide
PubChem CID62491451
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2CCC(=O)NC2)C1
InChIInChI=1S/C11H21N3O3S/c1-9-3-2-6-14(8-9)18(16,17)13-10-4-5-11(15)12-7-10/h9-10,13H,2-8H2,1H3,(H,12,15)
InChIKeyWAQNSTVTOXCVJE-UHFFFAOYSA-N
XLogP-0.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide?
The IUPAC name of 3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide (CID 62491451) is 3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for 3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NC2CCC(=O)NC2)C1.
What is the InChIKey of 3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide?
The InChIKey is WAQNSTVTOXCVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-9-3-2-6-14(8-9)18(16,17)13-10-4-5-11(15)12-7-10/h9-10,13H,2-8H2,1H3,(H,12,15).
What are the key properties of 3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide?
3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 62491451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).