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4-oxo-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]butane-1-sulfonamide

ChemBase ID: 460048
Molecular Formular: C15H23N3O4S
Molecular Mass: 341.42582
Monoisotopic Mass: 341.14092723
SMILES and InChIs

SMILES:
S(=O)(=O)(N)CCCC(=O)N1CCC(CC1)OCc1cnccc1
Canonical SMILES:
O=C(N1CCC(CC1)OCc1cccnc1)CCCS(=O)(=O)N
InChI:
InChI=1S/C15H23N3O4S/c16-23(20,21)10-2-4-15(19)18-8-5-14(6-9-18)22-12-13-3-1-7-17-11-13/h1,3,7,11,14H,2,4-6,8-10,12H2,(H2,16,20,21)
InChIKey:
JESVXMNRTZYEKK-UHFFFAOYSA-N

Cite this record

CBID:460048 http://www.chembase.cn/molecule-460048.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-oxo-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]butane-1-sulfonamide
IUPAC Traditional name
4-oxo-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]butane-1-sulfonamide
Synonyms
4-oxo-4-[4-(3-pyridinylmethoxy)-1-piperidinyl]-1-butanesulfonamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 32274656 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)
Acid pKa 11.700947  H Acceptors
H Donor LogD (pH = 5.5) -1.3311563 
LogD (pH = 7.4) -1.2718514  Log P -1.2710067 
Molar Refractivity 86.2765 cm3 Polarizability 34.391506 Å3
Polar Surface Area 102.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.51  LOG S -1.26 
Polar Surface Area 102.59 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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