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

C12H20N2O3S — CID 39371866

IUPACN-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)(C)CON)c1
InChIInChI=1S/C12H20N2O3S/c1-9-5-6-10(2)11(7-9)18(15,16)14-12(3,4)8-17-13/h5-7,14H,8,13H2,1-4H3
InChIKeyLGDRMNXTYZCBIY-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.25
Rot. Bonds5

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

N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 39371866) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID39371866
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)(C)CON)c1
InChIInChI=1S/C12H20N2O3S/c1-9-5-6-10(2)11(7-9)18(15,16)14-12(3,4)8-17-13/h5-7,14H,8,13H2,1-4H3
InChIKeyLGDRMNXTYZCBIY-UHFFFAOYSA-N
XLogP1.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119975791
N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 106165227
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
N-[3-(bromomethyl)pentan-3-yl]-2,5-dimethylbenzenesulfonamide
CID 114294055
N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 39432708
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide
CID 39371867
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61124375
ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 120709189
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119975386

Frequently Asked Questions

What is the IUPAC name of N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide (CID 39371866) is N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC(C)(C)CON)c1.
What is the InChIKey of N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is LGDRMNXTYZCBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9-5-6-10(2)11(7-9)18(15,16)14-12(3,4)8-17-13/h5-7,14H,8,13H2,1-4H3.
What are the key properties of N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide?
N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 39371866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).