8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane

C12H21NO4S — CID 131653681

IUPAC8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1
InChIInChI=1S/C12H21NO4S/c1-16-10-8-12(17-9-10)4-6-13(7-5-12)18(14,15)11-2-3-11/h10-11H,2-9H2,1H3
InChIKeyGSXHOKPEMBBLPS-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.75
Rot. Bonds3

About 8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane

8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 131653681) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID131653681
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1
InChIInChI=1S/C12H21NO4S/c1-16-10-8-12(17-9-10)4-6-13(7-5-12)18(14,15)11-2-3-11/h10-11H,2-9H2,1H3
InChIKeyGSXHOKPEMBBLPS-UHFFFAOYSA-N
XLogP0.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371297
1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone
CID 97423008
8-cyclopropylsulfonyl-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131644438
8-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 118745503
(3S)-3-methoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 97450738
(3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 97450737
(7R)-7-methoxy-5-oxaspiro[3.4]octane
CID 162176613
(3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97474992
(3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124520551
[(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone
CID 97418772
3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide
CID 118739208
(3R,5S)-7-cyclopropylsulfonyl-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97420002

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane (CID 131653681) is 8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane is COC1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1.
What is the InChIKey of 8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is GSXHOKPEMBBLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-16-10-8-12(17-9-10)4-6-13(7-5-12)18(14,15)11-2-3-11/h10-11H,2-9H2,1H3.
What are the key properties of 8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 275.37 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131653681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).