1-methylsulfonylpiperidin-4-amine

CAS No.：

Cat. No.: SC20099

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Product Name :1-methylsulfonylpiperidin-4-amine

Cat. No.: :SC20099

Purity / Specification :—

CAS No. :402927-97-3

MDL No. :MFCD06805736

Molecular Formula :C₆H₁₄N₂O₂S

LogP :-0.90

Molecular Weight :178.25

TPSA :71.8

Category :Building Blocks

HSN Code :—

SMILES Code :CS(=O)(=O)N1CCC(N)CC1

Melting Point :—

InChI Key : :FLQSRSQNICPZIH-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✓ 178.3 Da

LogP ≤ 5✓ -0.90

HBD ≤ 5✓ 1

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

59/100

Moderate — typical building block

Predicted LogP

-0.90log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 71.8Å² · 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.