Methyl 2-aminoethanesulfonate

CAS No.：

Cat. No.: SC25992

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Product Name :Methyl 2-aminoethanesulfonate

Cat. No.: :SC25992

Purity / Specification :—

CAS No. :52619-75-7

MDL No. :—

Molecular Formula :C₃H₉NO₃S

LogP :-1.30

Molecular Weight :139.17

TPSA :77.8

Category :API Impurities

HSN Code :—

SMILES Code :COS(=O)(=O)CCN

Melting Point :—

InChI Key : :CEPFHYCUZFQHSM-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 139.2 Da

LogP ≤ 5✓ -1.30

HBD ≤ 5✓ 1

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

51/100

Fragment / low drug-likeness

Predicted LogP

-1.30log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 77.8Å² · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−

Requires experimental confirmation.

⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.