2-(methylsulfonimidoyl)ethanol

C3H9NO2S — CID 137346593

IUPAC2-(methylsulfonimidoyl)ethanol
SMILES[H]N=S(C)(=O)CCO
InChIInChI=1S/C3H9NO2S/c1-7(4,6)3-2-5/h4-5H,2-3H2,1H3
InChIKeyLCILZVHDLJKALZ-UHFFFAOYSA-N
MW123.18 g/mol
LogP-0.34
Rot. Bonds2

About 2-(methylsulfonimidoyl)ethanol

2-(methylsulfonimidoyl)ethanol (PubChem CID 137346593) has the molecular formula C3H9NO2S and a molecular weight of 123.18 g/mol. Its IUPAC name is 2-(methylsulfonimidoyl)ethanol.

Molecular Properties

Compound Name2-(methylsulfonimidoyl)ethanol
PubChem CID137346593
Molecular FormulaC3H9NO2S
Molecular Weight123.18 g/mol
Exact Mass123.04
IUPAC Name2-(methylsulfonimidoyl)ethanol
SMILES[H]N=S(C)(=O)CCO
InChIInChI=1S/C3H9NO2S/c1-7(4,6)3-2-5/h4-5H,2-3H2,1H3
InChIKeyLCILZVHDLJKALZ-UHFFFAOYSA-N
XLogP-0.34
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonimidoyl)ethanol?
The IUPAC name of 2-(methylsulfonimidoyl)ethanol (CID 137346593) is 2-(methylsulfonimidoyl)ethanol.
What is the SMILES notation for 2-(methylsulfonimidoyl)ethanol?
The canonical SMILES for 2-(methylsulfonimidoyl)ethanol is [H]N=S(C)(=O)CCO.
What is the InChIKey of 2-(methylsulfonimidoyl)ethanol?
The InChIKey is LCILZVHDLJKALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S/c1-7(4,6)3-2-5/h4-5H,2-3H2,1H3.
What are the key properties of 2-(methylsulfonimidoyl)ethanol?
2-(methylsulfonimidoyl)ethanol has a molecular weight of 123.18 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonimidoyl)ethanol is sourced from PubChem (CID 137346593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).