sodium methylsulfonylazanide

CH4NNaO2S — CID 13150714

IUPACsodium methylsulfonylazanide
SMILESCS([NH-])(=O)=O.[Na+]
InChIInChI=1S/CH4NO2S.Na/c1-5(2,3)4;/h1H3,(H-,2,3,4);/q-1;+1
InChIKeyQICWSAFHNDKQKS-UHFFFAOYSA-N
MW117.10 g/mol
LogP-3.00
Rot. Bonds

About sodium methylsulfonylazanide

sodium methylsulfonylazanide (PubChem CID 13150714) has the molecular formula CH4NNaO2S and a molecular weight of 117.10 g/mol. Its IUPAC name is sodium methylsulfonylazanide.

Molecular Properties

Compound Namesodium methylsulfonylazanide
PubChem CID13150714
Molecular FormulaCH4NNaO2S
Molecular Weight117.10 g/mol
Exact Mass116.99
IUPAC Namesodium methylsulfonylazanide
SMILESCS([NH-])(=O)=O.[Na+]
InChIInChI=1S/CH4NO2S.Na/c1-5(2,3)4;/h1H3,(H-,2,3,4);/q-1;+1
InChIKeyQICWSAFHNDKQKS-UHFFFAOYSA-N
XLogP-3.00
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-3.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium methylsulfonylazanide?
The IUPAC name of sodium methylsulfonylazanide (CID 13150714) is sodium methylsulfonylazanide.
What is the SMILES notation for sodium methylsulfonylazanide?
The canonical SMILES for sodium methylsulfonylazanide is CS([NH-])(=O)=O.[Na+].
What is the InChIKey of sodium methylsulfonylazanide?
The InChIKey is QICWSAFHNDKQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4NO2S.Na/c1-5(2,3)4;/h1H3,(H-,2,3,4);/q-1;+1.
What are the key properties of sodium methylsulfonylazanide?
sodium methylsulfonylazanide has a molecular weight of 117.10 g/mol, XLogP of -3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium methylsulfonylazanide is sourced from PubChem (CID 13150714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).