2-(methylsulfonimidoyl)ethanamine

C3H10N2OS — CID 135313925

IUPAC2-(methylsulfonimidoyl)ethanamine
SMILES[H]N=S(C)(=O)CCN
InChIInChI=1S/C3H10N2OS/c1-7(5,6)3-2-4/h5H,2-4H2,1H3
InChIKeyPPGJJYKGPBMLBB-UHFFFAOYSA-N
MW122.19 g/mol
LogP-0.38
Rot. Bonds2

About 2-(methylsulfonimidoyl)ethanamine

2-(methylsulfonimidoyl)ethanamine (PubChem CID 135313925) has the molecular formula C3H10N2OS and a molecular weight of 122.19 g/mol. Its IUPAC name is 2-(methylsulfonimidoyl)ethanamine.

Molecular Properties

Compound Name2-(methylsulfonimidoyl)ethanamine
PubChem CID135313925
Molecular FormulaC3H10N2OS
Molecular Weight122.19 g/mol
Exact Mass122.05
IUPAC Name2-(methylsulfonimidoyl)ethanamine
SMILES[H]N=S(C)(=O)CCN
InChIInChI=1S/C3H10N2OS/c1-7(5,6)3-2-4/h5H,2-4H2,1H3
InChIKeyPPGJJYKGPBMLBB-UHFFFAOYSA-N
XLogP-0.38
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonimidoyl)ethanamine?
The IUPAC name of 2-(methylsulfonimidoyl)ethanamine (CID 135313925) is 2-(methylsulfonimidoyl)ethanamine.
What is the SMILES notation for 2-(methylsulfonimidoyl)ethanamine?
The canonical SMILES for 2-(methylsulfonimidoyl)ethanamine is [H]N=S(C)(=O)CCN.
What is the InChIKey of 2-(methylsulfonimidoyl)ethanamine?
The InChIKey is PPGJJYKGPBMLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2OS/c1-7(5,6)3-2-4/h5H,2-4H2,1H3.
What are the key properties of 2-(methylsulfonimidoyl)ethanamine?
2-(methylsulfonimidoyl)ethanamine has a molecular weight of 122.19 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonimidoyl)ethanamine is sourced from PubChem (CID 135313925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).