azane;1,2,4,3-trioxathiane 3,3-dioxide

C2H7NO5S — CID 172777670

IUPACazane;1,2,4,3-trioxathiane 3,3-dioxide
SMILESN.O=S1(=O)OCCOO1
InChIInChI=1S/C2H4O5S.H3N/c3-8(4)6-2-1-5-7-8;/h1-2H2;1H3
InChIKeyNVANCMAKQGXHGF-UHFFFAOYSA-N
MW157.15 g/mol
LogP-0.63
Rot. Bonds

About azane;1,2,4,3-trioxathiane 3,3-dioxide

azane;1,2,4,3-trioxathiane 3,3-dioxide (PubChem CID 172777670) has the molecular formula C2H7NO5S and a molecular weight of 157.15 g/mol. Its IUPAC name is azane;1,2,4,3-trioxathiane 3,3-dioxide.

Molecular Properties

Compound Nameazane;1,2,4,3-trioxathiane 3,3-dioxide
PubChem CID172777670
Molecular FormulaC2H7NO5S
Molecular Weight157.15 g/mol
Exact Mass157.00
IUPAC Nameazane;1,2,4,3-trioxathiane 3,3-dioxide
SMILESN.O=S1(=O)OCCOO1
InChIInChI=1S/C2H4O5S.H3N/c3-8(4)6-2-1-5-7-8;/h1-2H2;1H3
InChIKeyNVANCMAKQGXHGF-UHFFFAOYSA-N
XLogP-0.63
TPSA96.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;1,2,4,3-trioxathiane 3,3-dioxide?
The IUPAC name of azane;1,2,4,3-trioxathiane 3,3-dioxide (CID 172777670) is azane;1,2,4,3-trioxathiane 3,3-dioxide.
What is the SMILES notation for azane;1,2,4,3-trioxathiane 3,3-dioxide?
The canonical SMILES for azane;1,2,4,3-trioxathiane 3,3-dioxide is N.O=S1(=O)OCCOO1.
What is the InChIKey of azane;1,2,4,3-trioxathiane 3,3-dioxide?
The InChIKey is NVANCMAKQGXHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O5S.H3N/c3-8(4)6-2-1-5-7-8;/h1-2H2;1H3.
What are the key properties of azane;1,2,4,3-trioxathiane 3,3-dioxide?
azane;1,2,4,3-trioxathiane 3,3-dioxide has a molecular weight of 157.15 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,2,4,3-trioxathiane 3,3-dioxide is sourced from PubChem (CID 172777670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).