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

C11H18N2O3S — CID 54955517

IUPACN-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O3S/c1-4-8(2)9(3)13-17(15,16)10-5-6-11(14)12-7-10/h5-9,13H,4H2,1-3H3,(H,12,14)
InChIKeyVZNXKMKPDMBDDO-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.09
Rot. Bonds5

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

N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 54955517) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID54955517
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O3S/c1-4-8(2)9(3)13-17(15,16)10-5-6-11(14)12-7-10/h5-9,13H,4H2,1-3H3,(H,12,14)
InChIKeyVZNXKMKPDMBDDO-UHFFFAOYSA-N
XLogP1.09
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629183
N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629090
N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61247679
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64605936
4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54955559
4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 87610028
2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]-N-propylpropanamide
CID 61250492
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61479202
N-(1-hydroxy-3-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 106197387
N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102907510
4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61395312

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (CID 54955517) is N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is CCC(C)C(C)NS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is VZNXKMKPDMBDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-4-8(2)9(3)13-17(15,16)10-5-6-11(14)12-7-10/h5-9,13H,4H2,1-3H3,(H,12,14).
What are the key properties of N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 54955517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).