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

C11H18N2O4S — CID 65048037

IUPACN-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESCOCC(NS(=O)(=O)c1c[nH]ccc1=O)C(C)C
InChIInChI=1S/C11H18N2O4S/c1-8(2)9(7-17-3)13-18(15,16)11-6-12-5-4-10(11)14/h4-6,8-9,13H,7H2,1-3H3,(H,12,14)
InChIKeyBIULLPLTDCWRAY-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.32
Rot. Bonds6

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

N-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 65048037) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID65048037
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESCOCC(NS(=O)(=O)c1c[nH]ccc1=O)C(C)C
InChIInChI=1S/C11H18N2O4S/c1-8(2)9(7-17-3)13-18(15,16)11-6-12-5-4-10(11)14/h4-6,8-9,13H,7H2,1-3H3,(H,12,14)
InChIKeyBIULLPLTDCWRAY-UHFFFAOYSA-N
XLogP0.32
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide
CID 114202602
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide
CID 106352667
2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65048629
5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65049698
4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65050020
2,5-dibromo-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 80707880
2-(aminomethyl)-3-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047751
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106068759
2-(3-aminoprop-1-ynyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65048193
2-(3-hydroxyprop-1-ynyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65048095
2-cyano-3-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65049476
3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 81258377

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide (CID 65048037) is N-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide is COCC(NS(=O)(=O)c1c[nH]ccc1=O)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is BIULLPLTDCWRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-8(2)9(7-17-3)13-18(15,16)11-6-12-5-4-10(11)14/h4-6,8-9,13H,7H2,1-3H3,(H,12,14).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide?
N-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 65048037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).