2-[methoxy(methyl)amino]ethanesulfonamide

C4H12N2O3S — CID 90865184

IUPAC2-[methoxy(methyl)amino]ethanesulfonamide
SMILESCON(C)CCS(N)(=O)=O
InChIInChI=1S/C4H12N2O3S/c1-6(9-2)3-4-10(5,7)8/h3-4H2,1-2H3,(H2,5,7,8)
InChIKeyVNRCNYRZXIRUGK-UHFFFAOYSA-N
MW168.22 g/mol
LogP-1.23
Rot. Bonds4

About 2-[methoxy(methyl)amino]ethanesulfonamide

2-[methoxy(methyl)amino]ethanesulfonamide (PubChem CID 90865184) has the molecular formula C4H12N2O3S and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-[methoxy(methyl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[methoxy(methyl)amino]ethanesulfonamide
PubChem CID90865184
Molecular FormulaC4H12N2O3S
Molecular Weight168.22 g/mol
Exact Mass168.06
IUPAC Name2-[methoxy(methyl)amino]ethanesulfonamide
SMILESCON(C)CCS(N)(=O)=O
InChIInChI=1S/C4H12N2O3S/c1-6(9-2)3-4-10(5,7)8/h3-4H2,1-2H3,(H2,5,7,8)
InChIKeyVNRCNYRZXIRUGK-UHFFFAOYSA-N
XLogP-1.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[methoxy(methyl)amino]ethanesulfonamide 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

2-(methoxyamino)-N,N-dimethylethanesulfonamide
CID 21691664
3-[Methoxy(methyl)amino]propane-1-sulfonamide
CID 137516557
1-[Methoxy(methyl)amino]ethanesulfonamide
CID 143287827
2-[Methoxy(oxido)amino]ethanesulfonamide
CID 163800864

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(methyl)amino]ethanesulfonamide?
The IUPAC name of 2-[methoxy(methyl)amino]ethanesulfonamide (CID 90865184) is 2-[methoxy(methyl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[methoxy(methyl)amino]ethanesulfonamide?
The canonical SMILES for 2-[methoxy(methyl)amino]ethanesulfonamide is CON(C)CCS(N)(=O)=O.
What is the InChIKey of 2-[methoxy(methyl)amino]ethanesulfonamide?
The InChIKey is VNRCNYRZXIRUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3S/c1-6(9-2)3-4-10(5,7)8/h3-4H2,1-2H3,(H2,5,7,8).
What are the key properties of 2-[methoxy(methyl)amino]ethanesulfonamide?
2-[methoxy(methyl)amino]ethanesulfonamide has a molecular weight of 168.22 g/mol, XLogP of -1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(methyl)amino]ethanesulfonamide is sourced from PubChem (CID 90865184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).