N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide

C12H20N2O5S — CID 39432708

IUPACN-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(C)(C)CON)c1
InChIInChI=1S/C12H20N2O5S/c1-12(2,8-19-13)14-20(15,16)11-7-9(17-3)5-6-10(11)18-4/h5-7,14H,8,13H2,1-4H3
InChIKeyGNSTYBMVSFLJKA-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.65
Rot. Bonds7

About N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide

N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 39432708) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID39432708
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC NameN-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(C)(C)CON)c1
InChIInChI=1S/C12H20N2O5S/c1-12(2,8-19-13)14-20(15,16)11-7-9(17-3)5-6-10(11)18-4/h5-7,14H,8,13H2,1-4H3
InChIKeyGNSTYBMVSFLJKA-UHFFFAOYSA-N
XLogP0.65
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-Dimethoxybenzenesulfonyl)piperazine
CID 2758389
N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 729552
Benzenesulfonamide, 2,5-dimethoxy-
CID 209044
2,5-dimethoxy-N-methylbenzene-1-sulfonamide
CID 768903
2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2931143
2,5-Dimethoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 2868443
2,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
CID 16194106
N-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide
CID 2201328
N-cyclopropyl-2,5-dimethoxybenzenesulfonamide
CID 737287
N-cyclohexyl-2,5-dimethoxybenzenesulfonamide
CID 768892
N-[2-(1-cyclohexenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 768895
N-tert-butyl-2,5-dimethoxybenzenesulfonamide
CID 2824563

Frequently Asked Questions

What is the IUPAC name of N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide (CID 39432708) is N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC(C)(C)CON)c1.
What is the InChIKey of N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is GNSTYBMVSFLJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-12(2,8-19-13)14-20(15,16)11-7-9(17-3)5-6-10(11)18-4/h5-7,14H,8,13H2,1-4H3.
What are the key properties of N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide?
N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 39432708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).