1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone

C12H21NO5S — CID 97423008

IUPAC1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone
SMILESCO[C@H]1COC2(CCN(C(=O)CS(C)(=O)=O)CC2)C1
InChIInChI=1S/C12H21NO5S/c1-17-10-7-12(18-8-10)3-5-13(6-4-12)11(14)9-19(2,15)16/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyUPDUNKSEAAYRFZ-SNVBAGLBSA-N
MW291.37 g/mol
LogP-0.17
Rot. Bonds3

About 1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone

1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone (PubChem CID 97423008) has the molecular formula C12H21NO5S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone
PubChem CID97423008
Molecular FormulaC12H21NO5S
Molecular Weight291.37 g/mol
Exact Mass291.11
IUPAC Name1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone
SMILESCO[C@H]1COC2(CCN(C(=O)CS(C)(=O)=O)CC2)C1
InChIInChI=1S/C12H21NO5S/c1-17-10-7-12(18-8-10)3-5-13(6-4-12)11(14)9-19(2,15)16/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyUPDUNKSEAAYRFZ-SNVBAGLBSA-N
XLogP-0.17
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfonyl-1-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418966
1-[(3S,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methylsulfonylethanone
CID 97419688
8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 131653681
1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone
CID 97485383
1-(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131689474
2-(4-fluoro-2-methylphenyl)-1-[(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97477001
3-(2-chlorophenyl)-1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 97476919
2-(4-fluoro-2-methylphenyl)-1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97477002
[(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone
CID 97418772
(2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487255
1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone
CID 131639249
2-(1,3-benzodioxol-5-yl)-1-[(3S,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97419807

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone?
The IUPAC name of 1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone (CID 97423008) is 1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone.
What is the SMILES notation for 1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone?
The canonical SMILES for 1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone is CO[C@H]1COC2(CCN(C(=O)CS(C)(=O)=O)CC2)C1.
What is the InChIKey of 1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone?
The InChIKey is UPDUNKSEAAYRFZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO5S/c1-17-10-7-12(18-8-10)3-5-13(6-4-12)11(14)9-19(2,15)16/h10H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone?
1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone has a molecular weight of 291.37 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone is sourced from PubChem (CID 97423008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).