N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide

C13H21N3O3S — CID 43629367

IUPACN-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H21N3O3S/c1-3-16-8-6-11(7-9-16)15(2)20(18,19)12-4-5-13(17)14-10-12/h4-5,10-11H,3,6-9H2,1-2H3,(H,14,17)
InChIKeyPRWZARAJOGWZKP-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.48
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide

N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629367) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629367
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H21N3O3S/c1-3-16-8-6-11(7-9-16)15(2)20(18,19)12-4-5-13(17)14-10-12/h4-5,10-11H,3,6-9H2,1-2H3,(H,14,17)
InChIKeyPRWZARAJOGWZKP-UHFFFAOYSA-N
XLogP0.48
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide (CID 43629367) is N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide is CCN1CCC(N(C)S(=O)(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is PRWZARAJOGWZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-16-8-6-11(7-9-16)15(2)20(18,19)12-4-5-13(17)14-10-12/h4-5,10-11H,3,6-9H2,1-2H3,(H,14,17).
What are the key properties of N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).