7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide

HN5O3S — CID 154405144

IUPAC7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide
SMILESO=S1(=O)N=NNON=N1
InChIInChI=1S/HN5O3S/c6-9(7)4-1-2-8-3-5-9/h(H,2,4)
InChIKeyGPDRIXLKRWEYKC-UHFFFAOYSA-N
MW151.11 g/mol
LogP-0.50
Rot. Bonds

About 7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide

7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide (PubChem CID 154405144) has the molecular formula HN5O3S and a molecular weight of 151.11 g/mol. Its IUPAC name is 7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide.

Molecular Properties

Compound Name7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide
PubChem CID154405144
Molecular FormulaHN5O3S
Molecular Weight151.11 g/mol
Exact Mass150.98
IUPAC Name7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide
SMILESO=S1(=O)N=NNON=N1
InChIInChI=1S/HN5O3S/c6-9(7)4-1-2-8-3-5-9/h(H,2,4)
InChIKeyGPDRIXLKRWEYKC-UHFFFAOYSA-N
XLogP-0.50
TPSA104.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Azido sulfamate
CID 87397176
CID 87468166
CID 87468166
CID 150130934
CID 150130934
CID 152403038
CID 152403038
Diazenylsulfonyldiazene
CID 173501811
amino N-iminosulfamate
CID 174949044
CID 175160704
CID 175160704
Azidosulfonylimino(imino)azanium
CID 88064467

Frequently Asked Questions

What is the IUPAC name of 7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide?
The IUPAC name of 7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide (CID 154405144) is 7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide.
What is the SMILES notation for 7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide?
The canonical SMILES for 7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide is O=S1(=O)N=NNON=N1.
What is the InChIKey of 7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide?
The InChIKey is GPDRIXLKRWEYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/HN5O3S/c6-9(7)4-1-2-8-3-5-9/h(H,2,4).
What are the key properties of 7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide?
7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide has a molecular weight of 151.11 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-1,4,2,3,5,6,7-oxathiapentazepine 4,4-dioxide is sourced from PubChem (CID 154405144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).