azane;methyl prop-2-enyl sulfate;toluene

C11H19NO4S — CID 88614516

IUPACazane;methyl prop-2-enyl sulfate;toluene
SMILESC=CCOS(=O)(=O)OC.Cc1ccccc1.N
InChIInChI=1S/C7H8.C4H8O4S.H3N/c1-7-5-3-2-4-6-7;1-3-4-8-9(5,6)7-2;/h2-6H,1H3;3H,1,4H2,2H3;1H3
InChIKeyGDTDOBNINPNYKV-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.24
Rot. Bonds4

About azane;methyl prop-2-enyl sulfate;toluene

azane;methyl prop-2-enyl sulfate;toluene (PubChem CID 88614516) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is azane;methyl prop-2-enyl sulfate;toluene.

Molecular Properties

Compound Nameazane;methyl prop-2-enyl sulfate;toluene
PubChem CID88614516
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Nameazane;methyl prop-2-enyl sulfate;toluene
SMILESC=CCOS(=O)(=O)OC.Cc1ccccc1.N
InChIInChI=1S/C7H8.C4H8O4S.H3N/c1-7-5-3-2-4-6-7;1-3-4-8-9(5,6)7-2;/h2-6H,1H3;3H,1,4H2,2H3;1H3
InChIKeyGDTDOBNINPNYKV-UHFFFAOYSA-N
XLogP2.24
TPSA87.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;methyl prop-2-enyl sulfate;toluene?
The IUPAC name of azane;methyl prop-2-enyl sulfate;toluene (CID 88614516) is azane;methyl prop-2-enyl sulfate;toluene.
What is the SMILES notation for azane;methyl prop-2-enyl sulfate;toluene?
The canonical SMILES for azane;methyl prop-2-enyl sulfate;toluene is C=CCOS(=O)(=O)OC.Cc1ccccc1.N.
What is the InChIKey of azane;methyl prop-2-enyl sulfate;toluene?
The InChIKey is GDTDOBNINPNYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H8O4S.H3N/c1-7-5-3-2-4-6-7;1-3-4-8-9(5,6)7-2;/h2-6H,1H3;3H,1,4H2,2H3;1H3.
What are the key properties of azane;methyl prop-2-enyl sulfate;toluene?
azane;methyl prop-2-enyl sulfate;toluene has a molecular weight of 261.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl prop-2-enyl sulfate;toluene is sourced from PubChem (CID 88614516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).