sodium;ethyl N-ethylsulfamate;hydride

C4H12NNaO3S — CID 174521414

IUPACsodium;ethyl N-ethylsulfamate;hydride
SMILESCCNS(=O)(=O)OCC.[H-].[Na+]
InChIInChI=1S/C4H11NO3S.Na.H/c1-3-5-9(6,7)8-4-2;;/h5H,3-4H2,1-2H3;;/q;+1;-1
InChIKeyZRIGETZFEXHJOM-UHFFFAOYSA-N
MW177.20 g/mol
LogP-3.01
Rot. Bonds4

About sodium;ethyl N-ethylsulfamate;hydride

sodium;ethyl N-ethylsulfamate;hydride (PubChem CID 174521414) has the molecular formula C4H12NNaO3S and a molecular weight of 177.20 g/mol. Its IUPAC name is sodium;ethyl N-ethylsulfamate;hydride.

Molecular Properties

Compound Namesodium;ethyl N-ethylsulfamate;hydride
PubChem CID174521414
Molecular FormulaC4H12NNaO3S
Molecular Weight177.20 g/mol
Exact Mass177.04
IUPAC Namesodium;ethyl N-ethylsulfamate;hydride
SMILESCCNS(=O)(=O)OCC.[H-].[Na+]
InChIInChI=1S/C4H11NO3S.Na.H/c1-3-5-9(6,7)8-4-2;;/h5H,3-4H2,1-2H3;;/q;+1;-1
InChIKeyZRIGETZFEXHJOM-UHFFFAOYSA-N
XLogP-3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-3.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;ethyl N-ethylsulfamate;hydride?
The IUPAC name of sodium;ethyl N-ethylsulfamate;hydride (CID 174521414) is sodium;ethyl N-ethylsulfamate;hydride.
What is the SMILES notation for sodium;ethyl N-ethylsulfamate;hydride?
The canonical SMILES for sodium;ethyl N-ethylsulfamate;hydride is CCNS(=O)(=O)OCC.[H-].[Na+].
What is the InChIKey of sodium;ethyl N-ethylsulfamate;hydride?
The InChIKey is ZRIGETZFEXHJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S.Na.H/c1-3-5-9(6,7)8-4-2;;/h5H,3-4H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;ethyl N-ethylsulfamate;hydride?
sodium;ethyl N-ethylsulfamate;hydride has a molecular weight of 177.20 g/mol, XLogP of -3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl N-ethylsulfamate;hydride is sourced from PubChem (CID 174521414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).