disodium;ethyl N-aminosulfamate;hydride

C2H10N2Na2O3S — CID 174395269

IUPACdisodium;ethyl N-aminosulfamate;hydride
SMILESCCOS(=O)(=O)NN.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C2H8N2O3S.2Na.2H/c1-2-7-8(5,6)4-3;;;;/h4H,2-3H2,1H3;;;;/q;2*+1;2*-1
InChIKeySSRLCLJKNZBLJP-UHFFFAOYSA-N
MW188.16 g/mol
LogP-7.04
Rot. Bonds3

About disodium;ethyl N-aminosulfamate;hydride

disodium;ethyl N-aminosulfamate;hydride (PubChem CID 174395269) has the molecular formula C2H10N2Na2O3S and a molecular weight of 188.16 g/mol. Its IUPAC name is disodium;ethyl N-aminosulfamate;hydride.

Molecular Properties

Compound Namedisodium;ethyl N-aminosulfamate;hydride
PubChem CID174395269
Molecular FormulaC2H10N2Na2O3S
Molecular Weight188.16 g/mol
Exact Mass188.02
IUPAC Namedisodium;ethyl N-aminosulfamate;hydride
SMILESCCOS(=O)(=O)NN.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C2H8N2O3S.2Na.2H/c1-2-7-8(5,6)4-3;;;;/h4H,2-3H2,1H3;;;;/q;2*+1;2*-1
InChIKeySSRLCLJKNZBLJP-UHFFFAOYSA-N
XLogP-7.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-7.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium;ethyl N-ethylsulfamate;hydride
CID 174521414
sodium;ethyl hydrogen sulfate;hydride;sulfuric acid
CID 174986471
4-(ethoxysulfonylcarbamoyloxy)butanoic acid
CID 169311807
CID 159839688
CID 159839688
ethyl N-cyclohexylsulfamate
CID 12914623
CID 175068530
CID 175068530
ethyl hydrogen sulfate
CID 6004
ethyl methanesulfonate;hydrofluoride
CID 174826290
bromosulfonyloxyethane
CID 154228998
sodium;ethyl prop-2-enyl sulfate;hydride
CID 173210575
lithium;ethoxysulfonyl methanesulfonate;hydride
CID 174759292
ethyl N-(benzenesulfonyl)sulfamate
CID 146355188

Frequently Asked Questions

What is the IUPAC name of disodium;ethyl N-aminosulfamate;hydride?
The IUPAC name of disodium;ethyl N-aminosulfamate;hydride (CID 174395269) is disodium;ethyl N-aminosulfamate;hydride.
What is the SMILES notation for disodium;ethyl N-aminosulfamate;hydride?
The canonical SMILES for disodium;ethyl N-aminosulfamate;hydride is CCOS(=O)(=O)NN.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;ethyl N-aminosulfamate;hydride?
The InChIKey is SSRLCLJKNZBLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O3S.2Na.2H/c1-2-7-8(5,6)4-3;;;;/h4H,2-3H2,1H3;;;;/q;2*+1;2*-1.
What are the key properties of disodium;ethyl N-aminosulfamate;hydride?
disodium;ethyl N-aminosulfamate;hydride has a molecular weight of 188.16 g/mol, XLogP of -7.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethyl N-aminosulfamate;hydride is sourced from PubChem (CID 174395269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).