2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane

C12H21NO4S — CID 126803845

IUPAC2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane
SMILESO=S(=O)(C1COC1)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C12H21NO4S/c14-18(15,11-8-17-9-11)13-5-1-2-12(10-13)3-6-16-7-4-12/h11H,1-10H2
InChIKeyQNDMRCSFXLYPPY-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.61
Rot. Bonds2

About 2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane

2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane (PubChem CID 126803845) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane
PubChem CID126803845
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane
SMILESO=S(=O)(C1COC1)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C12H21NO4S/c14-18(15,11-8-17-9-11)13-5-1-2-12(10-13)3-6-16-7-4-12/h11H,1-10H2
InChIKeyQNDMRCSFXLYPPY-UHFFFAOYSA-N
XLogP0.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane?
The IUPAC name of 2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane (CID 126803845) is 2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane?
The canonical SMILES for 2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane is O=S(=O)(C1COC1)N1CCCC2(CCOCC2)C1.
What is the InChIKey of 2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane?
The InChIKey is QNDMRCSFXLYPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c14-18(15,11-8-17-9-11)13-5-1-2-12(10-13)3-6-16-7-4-12/h11H,1-10H2.
What are the key properties of 2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane?
2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane has a molecular weight of 275.37 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-ylsulfonyl)-9-oxa-2-azaspiro[5.5]undecane is sourced from PubChem (CID 126803845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).