9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane

C12H23NO3S — CID 110203881

IUPAC9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCCCS(=O)(=O)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C12H23NO3S/c1-2-11-17(14,15)13-8-6-12(7-9-13)5-3-4-10-16-12/h2-11H2,1H3
InChIKeyUXQFMGDZDHNXIN-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.76
Rot. Bonds3

About 9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane

9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 110203881) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID110203881
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCCCS(=O)(=O)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C12H23NO3S/c1-2-11-17(14,15)13-8-6-12(7-9-13)5-3-4-10-16-12/h2-11H2,1H3
InChIKeyUXQFMGDZDHNXIN-UHFFFAOYSA-N
XLogP1.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane (CID 110203881) is 9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane is CCCS(=O)(=O)N1CCC2(CCCCO2)CC1.
What is the InChIKey of 9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is UXQFMGDZDHNXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-2-11-17(14,15)13-8-6-12(7-9-13)5-3-4-10-16-12/h2-11H2,1H3.
What are the key properties of 9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane?
9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 261.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 110203881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).