[1-(methanesulfonylmethyl)cyclopropyl]methanamine hydrochloride

• ChemBase ID: 286394
• Molecular Formular: C6H14ClNO2S
• Molecular Mass: 199.69886
• Monoisotopic Mass: 199.04337737
• SMILES: S(=O)(=O)(CC1(CC1)CN)C.Cl
• Canonical SMILES: NCC1(CC1)CS(=O)(=O)C.Cl
• InChI: InChI=1S/C6H13NO2S.ClH/c1-10(8,9)5-6(4-7)2-3-6;/h2-5,7H2,1H3;1H
• InChIKey: WMGMWMZFFMGKIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(methanesulfonylmethyl)cyclopropyl]methanamine hydrochloride
• IUPAC Traditional name: [1-(methanesulfonylmethyl)cyclopropyl]methanamine hydrochloride
• Synonyms: [1-(methanesulfonylmethyl)cyclopropyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD21602800
• PubChem SID: 180671925
• PubChem CID: 72121324

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2997184
• LogD (pH = 7.4): -3.0360339
• Log P: -1.3778573
• Molar Refractivity: 40.2223 cm^3
• Polarizability: 16.779062 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): -0.959

Product Information

• Purity: 95%