(4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate

C7H14N2O6S2 — CID 59115213

IUPAC(4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate
SMILESCC(CC(C)=NOS(C)(=O)=O)=NOS(C)(=O)=O
InChIInChI=1S/C7H14N2O6S2/c1-6(8-14-16(3,10)11)5-7(2)9-15-17(4,12)13/h5H2,1-4H3
InChIKeyQBVJNZICGMLPOI-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.08
Rot. Bonds6

About (4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate

(4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate (PubChem CID 59115213) has the molecular formula C7H14N2O6S2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate.

Molecular Properties

Compound Name(4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate
PubChem CID59115213
Molecular FormulaC7H14N2O6S2
Molecular Weight286.33 g/mol
Exact Mass286.03
IUPAC Name(4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate
SMILESCC(CC(C)=NOS(C)(=O)=O)=NOS(C)(=O)=O
InChIInChI=1S/C7H14N2O6S2/c1-6(8-14-16(3,10)11)5-7(2)9-15-17(4,12)13/h5H2,1-4H3
InChIKeyQBVJNZICGMLPOI-UHFFFAOYSA-N
XLogP0.08
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate?
The IUPAC name of (4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate (CID 59115213) is (4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate.
What is the SMILES notation for (4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate?
The canonical SMILES for (4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate is CC(CC(C)=NOS(C)(=O)=O)=NOS(C)(=O)=O.
What is the InChIKey of (4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate?
The InChIKey is QBVJNZICGMLPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O6S2/c1-6(8-14-16(3,10)11)5-7(2)9-15-17(4,12)13/h5H2,1-4H3.
What are the key properties of (4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate?
(4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate has a molecular weight of 286.33 g/mol, XLogP of 0.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate is sourced from PubChem (CID 59115213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).