N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide

C8H16N2O3S — CID 114808687

IUPACN-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(=O)C(C)C1
InChIInChI=1S/C8H16N2O3S/c1-3-9-14(12,13)10-5-4-8(11)7(2)6-10/h7,9H,3-6H2,1-2H3
InChIKeyVYISEBREBBWIGM-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.25
Rot. Bonds3

About N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide

N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide (PubChem CID 114808687) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide
PubChem CID114808687
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(=O)C(C)C1
InChIInChI=1S/C8H16N2O3S/c1-3-9-14(12,13)10-5-4-8(11)7(2)6-10/h7,9H,3-6H2,1-2H3
InChIKeyVYISEBREBBWIGM-UHFFFAOYSA-N
XLogP-0.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide?
The IUPAC name of N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide (CID 114808687) is N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide.
What is the SMILES notation for N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide?
The canonical SMILES for N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide is CCNS(=O)(=O)N1CCC(=O)C(C)C1.
What is the InChIKey of N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide?
The InChIKey is VYISEBREBBWIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-3-9-14(12,13)10-5-4-8(11)7(2)6-10/h7,9H,3-6H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide?
N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide has a molecular weight of 220.29 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide is sourced from PubChem (CID 114808687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).