9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane

C20H30N2O5S — CID 91908248

IUPAC9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)CC(N2CCOCC2)CCO3)cc1
InChIInChI=1S/C20H30N2O5S/c1-25-18-2-4-19(5-3-18)28(23,24)22-9-7-20(8-10-22)16-17(6-13-27-20)21-11-14-26-15-12-21/h2-5,17H,6-16H2,1H3
InChIKeyYVKZXITYTYJIBY-UHFFFAOYSA-N
MW410.54 g/mol
LogP1.73
Rot. Bonds4

About 9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane

9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 91908248) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID91908248
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Name9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)CC(N2CCOCC2)CCO3)cc1
InChIInChI=1S/C20H30N2O5S/c1-25-18-2-4-19(5-3-18)28(23,24)22-9-7-20(8-10-22)16-17(6-13-27-20)21-11-14-26-15-12-21/h2-5,17H,6-16H2,1H3
InChIKeyYVKZXITYTYJIBY-UHFFFAOYSA-N
XLogP1.73
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane (CID 91908248) is 9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane is COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(N2CCOCC2)CCO3)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is YVKZXITYTYJIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-25-18-2-4-19(5-3-18)28(23,24)22-9-7-20(8-10-22)16-17(6-13-27-20)21-11-14-26-15-12-21/h2-5,17H,6-16H2,1H3.
What are the key properties of 9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane?
9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 410.54 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)sulfonyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 91908248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).