8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane

C16H22N2O4S — CID 51077690

IUPAC8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(N1CCC2(CC1)OCCO2)N1CCc2ccccc2C1
InChIInChI=1S/C16H22N2O4S/c19-23(20,17-9-6-16(7-10-17)21-11-12-22-16)18-8-5-14-3-1-2-4-15(14)13-18/h1-4H,5-13H2
InChIKeyWDJOSPFRGRBALY-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.13
Rot. Bonds2

About 8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 51077690) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID51077690
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(N1CCC2(CC1)OCCO2)N1CCc2ccccc2C1
InChIInChI=1S/C16H22N2O4S/c19-23(20,17-9-6-16(7-10-17)21-11-12-22-16)18-8-5-14-3-1-2-4-15(14)13-18/h1-4H,5-13H2
InChIKeyWDJOSPFRGRBALY-UHFFFAOYSA-N
XLogP1.13
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 119958944
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 71892135
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine
CID 51076359
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109024540
(3R)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-amine
CID 102977640
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
(3S,4R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767094
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109024396
8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112894346
N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 10891526
[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride
CID 119968825
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 119989110

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 51077690) is 8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(N1CCC2(CC1)OCCO2)N1CCc2ccccc2C1.
What is the InChIKey of 8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is WDJOSPFRGRBALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c19-23(20,17-9-6-16(7-10-17)21-11-12-22-16)18-8-5-14-3-1-2-4-15(14)13-18/h1-4H,5-13H2.
What are the key properties of 8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 338.43 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 51077690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).