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N-{[1-(3-phenylpropyl)pyrrolidin-3-yl]methyl}methanesulfonamide

ChemBase ID: 420081
Molecular Formular: C15H24N2O2S
Molecular Mass: 296.42826
Monoisotopic Mass: 296.15584902
SMILES and InChIs

SMILES:
S(=O)(=O)(NCC1CN(CC1)CCCc1ccccc1)C
Canonical SMILES:
CS(=O)(=O)NCC1CCN(C1)CCCc1ccccc1
InChI:
InChI=1S/C15H24N2O2S/c1-20(18,19)16-12-15-9-11-17(13-15)10-5-8-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3
InChIKey:
VGKKFXSJPRXWQG-UHFFFAOYSA-N

Cite this record

CBID:420081 http://www.chembase.cn/molecule-420081.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[1-(3-phenylpropyl)pyrrolidin-3-yl]methyl}methanesulfonamide
IUPAC Traditional name
N-{[1-(3-phenylpropyl)pyrrolidin-3-yl]methyl}methanesulfonamide
Synonyms
N-{[1-(3-phenylpropyl)pyrrolidin-3-yl]methyl}methanesulfonamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 11.301128  H Acceptors
H Donor LogD (pH = 5.5) -1.9298224 
LogD (pH = 7.4) -0.3023081  Log P 1.2305244 
Molar Refractivity 82.5015 cm3 Polarizability 32.93103 Å3
Polar Surface Area 49.41 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.99  LOG S -2.05 
Polar Surface Area 49.41 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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