N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide

C11H14N2O3S — CID 114202602

IUPACN-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESC#CC(NS(=O)(=O)c1c[nH]ccc1=O)C(C)C
InChIInChI=1S/C11H14N2O3S/c1-4-9(8(2)3)13-17(15,16)11-7-12-6-5-10(11)14/h1,5-9,13H,2-3H3,(H,12,14)
InChIKeyUZPMGSPJNFYDPX-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.31
Rot. Bonds4

About N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide

N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 114202602) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID114202602
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESC#CC(NS(=O)(=O)c1c[nH]ccc1=O)C(C)C
InChIInChI=1S/C11H14N2O3S/c1-4-9(8(2)3)13-17(15,16)11-7-12-6-5-10(11)14/h1,5-9,13H,2-3H3,(H,12,14)
InChIKeyUZPMGSPJNFYDPX-UHFFFAOYSA-N
XLogP0.31
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide
CID 106352667
N-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide
CID 65048037
5-amino-2-methyl-N-(4-methylpent-1-yn-3-yl)benzenesulfonamide
CID 114201966
4-amino-N-(4-methylpent-1-yn-3-yl)benzenesulfonamide
CID 114201971
N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 114618261
N-(3-hydroxypentyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 113497699
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 65123019
N-(2-hydroxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 107858289
3-tert-butylsulfonyl-1H-pyridin-4-one
CID 54484408
4-oxo-1H-pyridine-3-sulfonate
CID 7365266
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 115991442
3-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyridin-4-one
CID 114539246

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide (CID 114202602) is N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide is C#CC(NS(=O)(=O)c1c[nH]ccc1=O)C(C)C.
What is the InChIKey of N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is UZPMGSPJNFYDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-4-9(8(2)3)13-17(15,16)11-7-12-6-5-10(11)14/h1,5-9,13H,2-3H3,(H,12,14).
What are the key properties of N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide?
N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 254.31 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-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 114202602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).