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4-[4-(2-methanesulfonylethyl)piperazine-1-carbonyl]-N-methylpyridin-2-amine

ChemBase ID: 510027
Molecular Formular: C14H22N4O3S
Molecular Mass: 326.41448
Monoisotopic Mass: 326.14126158
SMILES and InChIs

SMILES:
S(=O)(=O)(CCN1CCN(C(=O)c2cc(ncc2)NC)CC1)C
Canonical SMILES:
CNc1nccc(c1)C(=O)N1CCN(CC1)CCS(=O)(=O)C
InChI:
InChI=1S/C14H22N4O3S/c1-15-13-11-12(3-4-16-13)14(19)18-7-5-17(6-8-18)9-10-22(2,20)21/h3-4,11H,5-10H2,1-2H3,(H,15,16)
InChIKey:
DSTQTBWHVWQXKT-UHFFFAOYSA-N

Cite this record

CBID:510027 http://www.chembase.cn/molecule-510027.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[4-(2-methanesulfonylethyl)piperazine-1-carbonyl]-N-methylpyridin-2-amine
IUPAC Traditional name
4-[4-(2-methanesulfonylethyl)piperazine-1-carbonyl]-N-methylpyridin-2-amine
Synonyms
N-methyl-4-({4-[2-(methylsulfonyl)ethyl]piperazin-1-yl}carbonyl)pyridin-2-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40459151 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) -1.5335115  LogD (pH = 7.4) -1.3549929 
Log P -1.3523865  Molar Refractivity 87.3977 cm3
Polarizability 33.1613 Å3 Polar Surface Area 82.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -1.09  LOG S -1.96 
Polar Surface Area 82.61 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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