(2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate

C11H15NO6S — CID 139797591

IUPAC(2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate
SMILESCC(C)(C)OOOC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO6S/c1-11(2,3)17-18-16-10(13)12-19(14,15)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
InChIKeyWHOBEDYWJYDNFN-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.76
Rot. Bonds4

About (2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate

(2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate (PubChem CID 139797591) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate
PubChem CID139797591
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name(2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate
SMILESCC(C)(C)OOOC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO6S/c1-11(2,3)17-18-16-10(13)12-19(14,15)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
InChIKeyWHOBEDYWJYDNFN-UHFFFAOYSA-N
XLogP1.76
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(benzenesulfonyl)carbamate
CID 676519
tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane
CID 175359448
phenyl N-(4-tert-butylphenyl)sulfonylcarbamate
CID 134553479
N-(benzenesulfonyl)-2-methylprop-2-enamide
CID 15084877
N-(benzenesulfonyl)-2,2,3-trimethylbutanamide
CID 69481639
(2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174533693
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea
CID 58646054
N-(benzenesulfonyl)-2,2-dimethyl-4-oxobutanamide
CID 91092490
tert-butyl N-(4-formylphenyl)sulfonylcarbamate
CID 146669883
3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide
CID 103308815
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate?
The IUPAC name of (2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate (CID 139797591) is (2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate.
What is the SMILES notation for (2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate?
The canonical SMILES for (2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate is CC(C)(C)OOOC(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate?
The InChIKey is WHOBEDYWJYDNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c1-11(2,3)17-18-16-10(13)12-19(14,15)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13).
What are the key properties of (2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate?
(2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate has a molecular weight of 289.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate is sourced from PubChem (CID 139797591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).