N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide

C15H21N3O4S — CID 154738025

IUPACN-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide
SMILESCN(C(CO)C(C)(C)C)S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C15H21N3O4S/c1-15(2,3)13(9-19)18(4)23(21,22)10-5-6-11-12(7-10)16-8-14(20)17-11/h5-8,13,19H,9H2,1-4H3,(H,17,20)
InChIKeyZNMUKFBJYGAWKO-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.95
Rot. Bonds4

About N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide

N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide (PubChem CID 154738025) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide
PubChem CID154738025
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide
SMILESCN(C(CO)C(C)(C)C)S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C15H21N3O4S/c1-15(2,3)13(9-19)18(4)23(21,22)10-5-6-11-12(7-10)16-8-14(20)17-11/h5-8,13,19H,9H2,1-4H3,(H,17,20)
InChIKeyZNMUKFBJYGAWKO-UHFFFAOYSA-N
XLogP0.95
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide?
The IUPAC name of N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide (CID 154738025) is N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide?
The canonical SMILES for N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide is CN(C(CO)C(C)(C)C)S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1.
What is the InChIKey of N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide?
The InChIKey is ZNMUKFBJYGAWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-15(2,3)13(9-19)18(4)23(21,22)10-5-6-11-12(7-10)16-8-14(20)17-11/h5-8,13,19H,9H2,1-4H3,(H,17,20).
What are the key properties of N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide?
N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methyl-2-oxo-1H-quinoxaline-6-sulfonamide is sourced from PubChem (CID 154738025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).