N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide

C9H14N2O3S — CID 43629041

IUPACN-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H14N2O3S/c1-7(2)5-11-15(13,14)8-3-4-9(12)10-6-8/h3-4,6-7,11H,5H2,1-2H3,(H,10,12)
InChIKeyNSMHQQZPQYSBQC-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.31
Rot. Bonds4

About N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629041) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629041
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H14N2O3S/c1-7(2)5-11-15(13,14)8-3-4-9(12)10-6-8/h3-4,6-7,11H,5H2,1-2H3,(H,10,12)
InChIKeyNSMHQQZPQYSBQC-UHFFFAOYSA-N
XLogP0.31
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102907510
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629075
N-(2-methyl-3-piperidin-1-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61020791
N-(3-methylbutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629183
N-methoxy-6-oxo-1H-pyridine-3-sulfonamide
CID 107858243
N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54955517
N,N-dimethyl-2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]acetamide
CID 43629293
N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 63831451
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106011806
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64605936
N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61479202

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 43629041) is N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is CC(C)CNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is NSMHQQZPQYSBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-7(2)5-11-15(13,14)8-3-4-9(12)10-6-8/h3-4,6-7,11H,5H2,1-2H3,(H,10,12).
What are the key properties of N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).