N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide

C13H22N2O3S — CID 102907510

IUPACN-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(=O)[nH]c1)C(C)C
InChIInChI=1S/C13H22N2O3S/c1-9(2)12(10(3)4)8-15-19(17,18)11-5-6-13(16)14-7-11/h5-7,9-10,12,15H,8H2,1-4H3,(H,14,16)
InChIKeyIDXAYMBRRZXGSX-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.58
Rot. Bonds6

About N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 102907510) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID102907510
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(=O)[nH]c1)C(C)C
InChIInChI=1S/C13H22N2O3S/c1-9(2)12(10(3)4)8-15-19(17,18)11-5-6-13(16)14-7-11/h5-7,9-10,12,15H,8H2,1-4H3,(H,14,16)
InChIKeyIDXAYMBRRZXGSX-UHFFFAOYSA-N
XLogP1.58
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629075
N-(3-methylbutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629183
N-(2-methyl-3-piperidin-1-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61020791
4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907719
5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide
CID 102915798
N-methoxy-6-oxo-1H-pyridine-3-sulfonamide
CID 107858243
N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54955517
N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61479202
4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907908
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

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 102907510) is N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide is CC(C)C(CNS(=O)(=O)c1ccc(=O)[nH]c1)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is IDXAYMBRRZXGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9(2)12(10(3)4)8-15-19(17,18)11-5-6-13(16)14-7-11/h5-7,9-10,12,15H,8H2,1-4H3,(H,14,16).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 102907510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).