N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide

C12H20N2O3S — CID 39371867

IUPACN-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)(C)CON)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-10-5-7-11(8-6-10)18(15,16)14-12(2,3)9-17-13/h5-8,14H,4,9,13H2,1-3H3
InChIKeyDTMNYUPWFCKQSV-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.20
Rot. Bonds6

About N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide

N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide (PubChem CID 39371867) 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)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide
PubChem CID39371867
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)(C)CON)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-10-5-7-11(8-6-10)18(15,16)14-12(2,3)9-17-13/h5-8,14H,4,9,13H2,1-3H3
InChIKeyDTMNYUPWFCKQSV-UHFFFAOYSA-N
XLogP1.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate
CID 115625371
N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818
N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
CID 19682071
ethyl 4-[(1-amino-2-methylpropan-2-yl)sulfamoyl]benzoate;hydrochloride
CID 119975673
N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 39371866
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide
CID 113091997
4-hexyl-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 84556988
N-(2-methylbutan-2-yl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106031498
4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 39372744
4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 115606746
N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide
CID 39242687

Frequently Asked Questions

What is the IUPAC name of N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide (CID 39371867) is N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NC(C)(C)CON)cc1.
What is the InChIKey of N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide?
The InChIKey is DTMNYUPWFCKQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-10-5-7-11(8-6-10)18(15,16)14-12(2,3)9-17-13/h5-8,14H,4,9,13H2,1-3H3.
What are the key properties of N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide?
N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.20, 6 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)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 39371867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).