benzyl N-aminooxysulfonylcarbamate

C8H10N2O5S — CID 122187597

IUPACbenzyl N-aminooxysulfonylcarbamate
SMILESNOS(=O)(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C8H10N2O5S/c9-15-16(12,13)10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
InChIKeyTXHBEDSSJFOOPV-UHFFFAOYSA-N
MW246.24 g/mol
LogP0.05
Rot. Bonds4

About benzyl N-aminooxysulfonylcarbamate

benzyl N-aminooxysulfonylcarbamate (PubChem CID 122187597) has the molecular formula C8H10N2O5S and a molecular weight of 246.24 g/mol. Its IUPAC name is benzyl N-aminooxysulfonylcarbamate.

Molecular Properties

Compound Namebenzyl N-aminooxysulfonylcarbamate
PubChem CID122187597
Molecular FormulaC8H10N2O5S
Molecular Weight246.24 g/mol
Exact Mass246.03
IUPAC Namebenzyl N-aminooxysulfonylcarbamate
SMILESNOS(=O)(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C8H10N2O5S/c9-15-16(12,13)10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
InChIKeyTXHBEDSSJFOOPV-UHFFFAOYSA-N
XLogP0.05
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 50.05
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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Frequently Asked Questions

What is the IUPAC name of benzyl N-aminooxysulfonylcarbamate?
The IUPAC name of benzyl N-aminooxysulfonylcarbamate (CID 122187597) is benzyl N-aminooxysulfonylcarbamate.
What is the SMILES notation for benzyl N-aminooxysulfonylcarbamate?
The canonical SMILES for benzyl N-aminooxysulfonylcarbamate is NOS(=O)(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-aminooxysulfonylcarbamate?
The InChIKey is TXHBEDSSJFOOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5S/c9-15-16(12,13)10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11).
What are the key properties of benzyl N-aminooxysulfonylcarbamate?
benzyl N-aminooxysulfonylcarbamate has a molecular weight of 246.24 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-aminooxysulfonylcarbamate is sourced from PubChem (CID 122187597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).