Home > Compound List > Compound details
 molecular structure
click picture or here to close

9-(propane-1-sulfonyl)-2-[2-(pyridin-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

ChemBase ID: 410267
Molecular Formular: C19H29N3O3S
Molecular Mass: 379.51686
Monoisotopic Mass: 379.1929628
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CCC2(CN(C(=O)CC2)CCc2cnccc2)CC1)CCC
Canonical SMILES:
CCCS(=O)(=O)N1CCC2(CC1)CCC(=O)N(C2)CCc1cccnc1
InChI:
InChI=1S/C19H29N3O3S/c1-2-14-26(24,25)22-12-8-19(9-13-22)7-5-18(23)21(16-19)11-6-17-4-3-10-20-15-17/h3-4,10,15H,2,5-9,11-14,16H2,1H3
InChIKey:
VVNLVGVIUJTZBZ-UHFFFAOYSA-N

Cite this record

CBID:410267 http://www.chembase.cn/molecule-410267.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-(propane-1-sulfonyl)-2-[2-(pyridin-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
IUPAC Traditional name
9-(propane-1-sulfonyl)-2-[2-(pyridin-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
Synonyms
9-(propylsulfonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 24374718 external link Add to cart
Data Source Data ID Price
ChemBridge
24374718 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.53274673  LogD (pH = 7.4) 0.6223221 
Log P 0.6236274  Molar Refractivity 101.6295 cm3
Polarizability 40.28978 Å3 Polar Surface Area 70.58 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.79  LOG S -2.2 
Polar Surface Area 70.58 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle