9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane

C18H25NO4S — CID 71684333

IUPAC9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C18H25NO4S/c20-24(21,17-7-6-15-4-1-2-5-16(15)14-17)19-10-8-18(9-11-19)22-12-3-13-23-18/h6-7,14H,1-5,8-13H2
InChIKeyUSPNOSIFPYVILZ-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.48
Rot. Bonds2

About 9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane

9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 71684333) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is 9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID71684333
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Name9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C18H25NO4S/c20-24(21,17-7-6-15-4-1-2-5-16(15)14-17)19-10-8-18(9-11-19)22-12-3-13-23-18/h6-7,14H,1-5,8-13H2
InChIKeyUSPNOSIFPYVILZ-UHFFFAOYSA-N
XLogP2.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane (CID 71684333) is 9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC2(CC1)OCCCO2.
What is the InChIKey of 9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is USPNOSIFPYVILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4S/c20-24(21,17-7-6-15-4-1-2-5-16(15)14-17)19-10-8-18(9-11-19)22-12-3-13-23-18/h6-7,14H,1-5,8-13H2.
What are the key properties of 9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane?
9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 351.47 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 71684333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).