ethyl(methylsulfonyl)azanide

C3H8NO2S- — CID 23597319

IUPACethyl(methylsulfonyl)azanide
SMILESCC[N-]S(C)(=O)=O
InChIInChI=1S/C3H8NO2S/c1-3-4-7(2,5)6/h3H2,1-2H3/q-1
InChIKeyCVRYWUCNQDBGCY-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.34
Rot. Bonds2

About ethyl(methylsulfonyl)azanide

ethyl(methylsulfonyl)azanide (PubChem CID 23597319) has the molecular formula C3H8NO2S- and a molecular weight of 122.17 g/mol. Its IUPAC name is ethyl(methylsulfonyl)azanide.

Molecular Properties

Compound Nameethyl(methylsulfonyl)azanide
PubChem CID23597319
Molecular FormulaC3H8NO2S-
Molecular Weight122.17 g/mol
Exact Mass122.03
IUPAC Nameethyl(methylsulfonyl)azanide
SMILESCC[N-]S(C)(=O)=O
InChIInChI=1S/C3H8NO2S/c1-3-4-7(2,5)6/h3H2,1-2H3/q-1
InChIKeyCVRYWUCNQDBGCY-UHFFFAOYSA-N
XLogP0.34
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl(methylsulfonyl)azanide?
The IUPAC name of ethyl(methylsulfonyl)azanide (CID 23597319) is ethyl(methylsulfonyl)azanide.
What is the SMILES notation for ethyl(methylsulfonyl)azanide?
The canonical SMILES for ethyl(methylsulfonyl)azanide is CC[N-]S(C)(=O)=O.
What is the InChIKey of ethyl(methylsulfonyl)azanide?
The InChIKey is CVRYWUCNQDBGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO2S/c1-3-4-7(2,5)6/h3H2,1-2H3/q-1.
What are the key properties of ethyl(methylsulfonyl)azanide?
ethyl(methylsulfonyl)azanide has a molecular weight of 122.17 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(methylsulfonyl)azanide is sourced from PubChem (CID 23597319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).