N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide

C12H18N2O4S — CID 55226076

IUPACN-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N2O4S/c1-14(9-10-4-6-18-7-5-10)19(16,17)11-2-3-12(15)13-8-11/h2-3,8,10H,4-7,9H2,1H3,(H,13,15)
InChIKeyDZJKDFXYEYCXDT-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.42
Rot. Bonds4

About N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide

N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 55226076) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID55226076
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N2O4S/c1-14(9-10-4-6-18-7-5-10)19(16,17)11-2-3-12(15)13-8-11/h2-3,8,10H,4-7,9H2,1H3,(H,13,15)
InChIKeyDZJKDFXYEYCXDT-UHFFFAOYSA-N
XLogP0.42
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 55226076) is N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide is CN(CC1CCOCC1)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is DZJKDFXYEYCXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-14(9-10-4-6-18-7-5-10)19(16,17)11-2-3-12(15)13-8-11/h2-3,8,10H,4-7,9H2,1H3,(H,13,15).
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 55226076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).