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2-[4-(ethanesulfonyl)piperazin-1-yl]-N,N-bis(prop-2-en-1-yl)acetamide

ChemBase ID: 470676
Molecular Formular: C14H25N3O3S
Molecular Mass: 315.4316
Monoisotopic Mass: 315.16166268
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CCN(CC(=O)N(CC=C)CC=C)CC1)CC
Canonical SMILES:
CCS(=O)(=O)N1CCN(CC1)CC(=O)N(CC=C)CC=C
InChI:
InChI=1S/C14H25N3O3S/c1-4-7-16(8-5-2)14(18)13-15-9-11-17(12-10-15)21(19,20)6-3/h4-5H,1-2,6-13H2,3H3
InChIKey:
LHRJELJZVZDEAS-UHFFFAOYSA-N

Cite this record

CBID:470676 http://www.chembase.cn/molecule-470676.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(ethanesulfonyl)piperazin-1-yl]-N,N-bis(prop-2-en-1-yl)acetamide
IUPAC Traditional name
2-[4-(ethanesulfonyl)piperazin-1-yl]-N,N-bis(prop-2-en-1-yl)acetamide
Synonyms
N,N-diallyl-2-[4-(ethylsulfonyl)piperazin-1-yl]acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 33995862 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.35749367  LogD (pH = 7.4) -0.15420675 
Log P -0.15088816  Molar Refractivity 84.8084 cm3
Polarizability 33.36942 Å3 Polar Surface Area 60.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.88  LOG S -3.11 
Polar Surface Area 60.93 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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