hydrazinesulfonyl methyl carbonate

C2H6N2O5S — CID 87544608

IUPAChydrazinesulfonyl methyl carbonate
SMILESCOC(=O)OS(=O)(=O)NN
InChIInChI=1S/C2H6N2O5S/c1-8-2(5)9-10(6,7)4-3/h4H,3H2,1H3
InChIKeyGJGIRCXJGQFXBH-UHFFFAOYSA-N
MW170.15 g/mol
LogP-1.52
Rot. Bonds2

About hydrazinesulfonyl methyl carbonate

hydrazinesulfonyl methyl carbonate (PubChem CID 87544608) has the molecular formula C2H6N2O5S and a molecular weight of 170.15 g/mol. Its IUPAC name is hydrazinesulfonyl methyl carbonate.

Molecular Properties

Compound Namehydrazinesulfonyl methyl carbonate
PubChem CID87544608
Molecular FormulaC2H6N2O5S
Molecular Weight170.15 g/mol
Exact Mass170.00
IUPAC Namehydrazinesulfonyl methyl carbonate
SMILESCOC(=O)OS(=O)(=O)NN
InChIInChI=1S/C2H6N2O5S/c1-8-2(5)9-10(6,7)4-3/h4H,3H2,1H3
InChIKeyGJGIRCXJGQFXBH-UHFFFAOYSA-N
XLogP-1.52
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrazinesulfonyl methyl carbonate?
The IUPAC name of hydrazinesulfonyl methyl carbonate (CID 87544608) is hydrazinesulfonyl methyl carbonate.
What is the SMILES notation for hydrazinesulfonyl methyl carbonate?
The canonical SMILES for hydrazinesulfonyl methyl carbonate is COC(=O)OS(=O)(=O)NN.
What is the InChIKey of hydrazinesulfonyl methyl carbonate?
The InChIKey is GJGIRCXJGQFXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O5S/c1-8-2(5)9-10(6,7)4-3/h4H,3H2,1H3.
What are the key properties of hydrazinesulfonyl methyl carbonate?
hydrazinesulfonyl methyl carbonate has a molecular weight of 170.15 g/mol, XLogP of -1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinesulfonyl methyl carbonate is sourced from PubChem (CID 87544608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).