[2-(morpholine-4-sulfonyl)ethyl](pyridin-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 55489
• Molecular Formular: C12H21Cl2N3O3S
• Molecular Mass: 358.28444
• Monoisotopic Mass: 357.06806791
• SMILES: S(=O)(=O)(N1CCOCC1)CCNCc1ncccc1.Cl.Cl
• Canonical SMILES: O=S(=O)(N1CCOCC1)CCNCc1ccccn1.Cl.Cl
• InChI: InChI=1S/C12H19N3O3S.2ClH/c16-19(17,15-6-8-18-9-7-15)10-5-13-11-12-3-1-2-4-14-12;;/h1-4,13H,5-11H2;2*1H
• InChIKey: NDLCJNXQSRNKKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholine-4-sulfonyl)ethyl](pyridin-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: [2-(morpholine-4-sulfonyl)ethyl](pyridin-2-ylmethyl)amine dihydrochloride
• Synonyms: [2-(Morpholin-4-ylsulfonyl)ethyl](pyridin-2-ylmethyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD18071424
• PubChem SID: 162060252
• PubChem CID: 56773594

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.5610812
• LogD (pH = 7.4): -1.1174477
• Log P: -0.93033946
• Molar Refractivity: 71.7165 cm^3
• Polarizability: 29.15699 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false