azane;N-sulfosulfamate

H5N2O6S2- — CID 170839753

IUPACazane;N-sulfosulfamate
SMILESN.O=S(=O)([O-])NS(=O)(=O)O
InChIInChI=1S/H3NO6S2.H3N/c2-8(3,4)1-9(5,6)7;/h1H,(H,2,3,4)(H,5,6,7);1H3/p-1
InChIKeyMBDWLVJKYHECGF-UHFFFAOYSA-M
MW193.18 g/mol
LogP-2.00
Rot. Bonds2

About azane;N-sulfosulfamate

azane;N-sulfosulfamate (PubChem CID 170839753) has the molecular formula H5N2O6S2- and a molecular weight of 193.18 g/mol. Its IUPAC name is azane;N-sulfosulfamate.

Molecular Properties

Compound Nameazane;N-sulfosulfamate
PubChem CID170839753
Molecular FormulaH5N2O6S2-
Molecular Weight193.18 g/mol
Exact Mass192.96
IUPAC Nameazane;N-sulfosulfamate
SMILESN.O=S(=O)([O-])NS(=O)(=O)O
InChIInChI=1S/H3NO6S2.H3N/c2-8(3,4)1-9(5,6)7;/h1H,(H,2,3,4)(H,5,6,7);1H3/p-1
InChIKeyMBDWLVJKYHECGF-UHFFFAOYSA-M
XLogP-2.00
TPSA158.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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azane;iron(2+);sulfuric acid;sulfate
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sodium;azane;hydrogen sulfate;hydrochloride
CID 173374550
fluorosulfonylsulfamic acid
CID 140798090
lithium;silver;sulfuric acid;sulfate
CID 158234411
strontium hydrogen sulfate
CID 160697720
hydrogen sulfate;zirconium(4+)
CID 11213772
CID 175927772
CID 175927772
(N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3
CID 139088979
azane;methylsulfamic acid
CID 173138884
copper;azane;sulfuric acid;sulfate;hexahydrate
CID 102602606

Frequently Asked Questions

What is the IUPAC name of azane;N-sulfosulfamate?
The IUPAC name of azane;N-sulfosulfamate (CID 170839753) is azane;N-sulfosulfamate.
What is the SMILES notation for azane;N-sulfosulfamate?
The canonical SMILES for azane;N-sulfosulfamate is N.O=S(=O)([O-])NS(=O)(=O)O.
What is the InChIKey of azane;N-sulfosulfamate?
The InChIKey is MBDWLVJKYHECGF-UHFFFAOYSA-M. The full InChI is InChI=1S/H3NO6S2.H3N/c2-8(3,4)1-9(5,6)7;/h1H,(H,2,3,4)(H,5,6,7);1H3/p-1.
What are the key properties of azane;N-sulfosulfamate?
azane;N-sulfosulfamate has a molecular weight of 193.18 g/mol, XLogP of -2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-sulfosulfamate is sourced from PubChem (CID 170839753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).