N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide

C11H16N2O4S — CID 114109226

IUPACN-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2c[nH]ccc2=O)CCO1
InChIInChI=1S/C11H16N2O4S/c1-8-6-9(3-5-17-8)13-18(15,16)11-7-12-4-2-10(11)14/h2,4,7-9,13H,3,5-6H2,1H3,(H,12,14)
InChIKeyPMKNNPCQRHVBHB-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.22
Rot. Bonds3

About N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide

N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 114109226) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID114109226
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2c[nH]ccc2=O)CCO1
InChIInChI=1S/C11H16N2O4S/c1-8-6-9(3-5-17-8)13-18(15,16)11-7-12-4-2-10(11)14/h2,4,7-9,13H,3,5-6H2,1H3,(H,12,14)
InChIKeyPMKNNPCQRHVBHB-UHFFFAOYSA-N
XLogP0.22
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate
CID 103887621
3-fluoro-4-[(2-methyloxan-4-yl)sulfamoyl]benzoic acid
CID 104654796
4-(aminomethyl)-2-bromo-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093875
2,4-difluoro-3-(hydroxymethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106002581
2-methyl-4-(sulfamoylamino)oxane
CID 103887477
2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093867
5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093981
N-(2-methyloxan-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 75439670
5-bromo-4-[(2-methyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 104654800
N-(2-methyloxan-4-yl)ethanesulfonamide
CID 103887605
5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide
CID 106094017
3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093864

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide (CID 114109226) is N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide is CC1CC(NS(=O)(=O)c2c[nH]ccc2=O)CCO1.
What is the InChIKey of N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is PMKNNPCQRHVBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8-6-9(3-5-17-8)13-18(15,16)11-7-12-4-2-10(11)14/h2,4,7-9,13H,3,5-6H2,1H3,(H,12,14).
What are the key properties of N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide?
N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 114109226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).