N-ethoxy-N-(methylsulfonimidoyl)methanamine

C4H12N2O2S — CID 164656066

IUPACN-ethoxy-N-(methylsulfonimidoyl)methanamine
SMILES[H]N=S(C)(=O)N(C)OCC
InChIInChI=1S/C4H12N2O2S/c1-4-8-6(2)9(3,5)7/h5H,4H2,1-3H3
InChIKeyFFDWWGBXQPNTLL-UHFFFAOYSA-N
MW152.22 g/mol
LogP0.46
Rot. Bonds3

About N-ethoxy-N-(methylsulfonimidoyl)methanamine

N-ethoxy-N-(methylsulfonimidoyl)methanamine (PubChem CID 164656066) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is N-ethoxy-N-(methylsulfonimidoyl)methanamine.

Molecular Properties

Compound NameN-ethoxy-N-(methylsulfonimidoyl)methanamine
PubChem CID164656066
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC NameN-ethoxy-N-(methylsulfonimidoyl)methanamine
SMILES[H]N=S(C)(=O)N(C)OCC
InChIInChI=1S/C4H12N2O2S/c1-4-8-6(2)9(3,5)7/h5H,4H2,1-3H3
InChIKeyFFDWWGBXQPNTLL-UHFFFAOYSA-N
XLogP0.46
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethoxy-N-(methylsulfonimidoyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-ethoxy-N'-(methanesulfonamido)methanesulfonohydrazide
CID 154447819
N,N-diethoxymethanamine;methyl hydrogen sulfate
CID 173043351
[(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane
CID 125456687
N-ethoxy-N-methylacetamide
CID 23617223
2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol
CID 164644258
ethyl methanesulfonate;hydrofluoride
CID 174826290
imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane
CID 165047245
N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
CID 174368808
N-ethyl-N-methylethanamine;methanesulfonic acid
CID 121235737
O-ethylhydroxylamine;methanesulfonic acid
CID 172739815
N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate
CID 160528402
N-methoxy-N-methylpropane-1-sulfonamide
CID 64591183

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-(methylsulfonimidoyl)methanamine?
The IUPAC name of N-ethoxy-N-(methylsulfonimidoyl)methanamine (CID 164656066) is N-ethoxy-N-(methylsulfonimidoyl)methanamine.
What is the SMILES notation for N-ethoxy-N-(methylsulfonimidoyl)methanamine?
The canonical SMILES for N-ethoxy-N-(methylsulfonimidoyl)methanamine is [H]N=S(C)(=O)N(C)OCC.
What is the InChIKey of N-ethoxy-N-(methylsulfonimidoyl)methanamine?
The InChIKey is FFDWWGBXQPNTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S/c1-4-8-6(2)9(3,5)7/h5H,4H2,1-3H3.
What are the key properties of N-ethoxy-N-(methylsulfonimidoyl)methanamine?
N-ethoxy-N-(methylsulfonimidoyl)methanamine has a molecular weight of 152.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-(methylsulfonimidoyl)methanamine is sourced from PubChem (CID 164656066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).