[3-(morpholin-4-yl)thiolan-3-yl]methanamine

• ChemBase ID: 262717
• Molecular Formular: C9H18N2OS
• Molecular Mass: 202.31702
• Monoisotopic Mass: 202.11398421
• SMILES: C1(N2CCOCC2)(CCSC1)CN
• Canonical SMILES: NCC1(CSCC1)N1CCOCC1
• InChI: InChI=1S/C9H18N2OS/c10-7-9(1-6-13-8-9)11-2-4-12-5-3-11/h1-8,10H2
• InChIKey: DLNJDBFJPOCELE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(morpholin-4-yl)thiolan-3-yl]methanamine
• IUPAC Traditional name: [3-(morpholin-4-yl)thiolan-3-yl]methanamine
• Synonyms: [3-(morpholin-4-yl)thiolan-3-yl]methanamine

Database IDs

• MDL Number: MFCD09933042
• PubChem SID: 164318627
• PubChem CID: 24694541

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.558161
• LogD (pH = 7.4): -2.2445676
• Log P: -0.26475304
• Molar Refractivity: 56.6437 cm^3
• Polarizability: 22.655445 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.127

Product Information

• Purity: 95%