1-methoxy-2-[methyl(sulfinato)amino]ethane

C4H10NO3S- — CID 57419753

IUPAC1-methoxy-2-[methyl(sulfinato)amino]ethane
SMILESCOCCN(C)S(=O)[O-]
InChIInChI=1S/C4H11NO3S/c1-5(9(6)7)3-4-8-2/h3-4H2,1-2H3,(H,6,7)/p-1
InChIKeyHWLCJGQBWAXZHF-UHFFFAOYSA-M
MW152.19 g/mol
LogP-0.64
Rot. Bonds4

About 1-methoxy-2-[methyl(sulfinato)amino]ethane

1-methoxy-2-[methyl(sulfinato)amino]ethane (PubChem CID 57419753) has the molecular formula C4H10NO3S- and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-methoxy-2-[methyl(sulfinato)amino]ethane.

Molecular Properties

Compound Name1-methoxy-2-[methyl(sulfinato)amino]ethane
PubChem CID57419753
Molecular FormulaC4H10NO3S-
Molecular Weight152.19 g/mol
Exact Mass152.04
IUPAC Name1-methoxy-2-[methyl(sulfinato)amino]ethane
SMILESCOCCN(C)S(=O)[O-]
InChIInChI=1S/C4H11NO3S/c1-5(9(6)7)3-4-8-2/h3-4H2,1-2H3,(H,6,7)/p-1
InChIKeyHWLCJGQBWAXZHF-UHFFFAOYSA-M
XLogP-0.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 1-methoxy-2-[methyl(sulfinato)amino]ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[methyl(sulfinato)amino]ethane?
The IUPAC name of 1-methoxy-2-[methyl(sulfinato)amino]ethane (CID 57419753) is 1-methoxy-2-[methyl(sulfinato)amino]ethane.
What is the SMILES notation for 1-methoxy-2-[methyl(sulfinato)amino]ethane?
The canonical SMILES for 1-methoxy-2-[methyl(sulfinato)amino]ethane is COCCN(C)S(=O)[O-].
What is the InChIKey of 1-methoxy-2-[methyl(sulfinato)amino]ethane?
The InChIKey is HWLCJGQBWAXZHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3S/c1-5(9(6)7)3-4-8-2/h3-4H2,1-2H3,(H,6,7)/p-1.
What are the key properties of 1-methoxy-2-[methyl(sulfinato)amino]ethane?
1-methoxy-2-[methyl(sulfinato)amino]ethane has a molecular weight of 152.19 g/mol, XLogP of -0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[methyl(sulfinato)amino]ethane is sourced from PubChem (CID 57419753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).