(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane

C13H19N3O4S — CID 124893679

IUPAC(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(O[C@@H]2CCOC3(C2)CN(S(C)(=O)=O)C3)n1
InChIInChI=1S/C13H19N3O4S/c1-10-3-5-14-12(15-10)20-11-4-6-19-13(7-11)8-16(9-13)21(2,17)18/h3,5,11H,4,6-9H2,1-2H3/t11-/m1/s1
InChIKeyRFOKSXKSSXNEAU-LLVKDONJSA-N
MW313.38 g/mol
LogP0.36
Rot. Bonds3

About (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane

(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124893679) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124893679
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(O[C@@H]2CCOC3(C2)CN(S(C)(=O)=O)C3)n1
InChIInChI=1S/C13H19N3O4S/c1-10-3-5-14-12(15-10)20-11-4-6-19-13(7-11)8-16(9-13)21(2,17)18/h3,5,11H,4,6-9H2,1-2H3/t11-/m1/s1
InChIKeyRFOKSXKSSXNEAU-LLVKDONJSA-N
XLogP0.36
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124893559
(5-methyl-1,2-oxazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124893711
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone
CID 131655494
(5-methyl-1,2-oxazol-3-yl)-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124893710
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
CID 131644906
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-2-ylmethanone
CID 131659884
[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 124893255
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone
CID 133137075
(1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124814156
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 133142484
(8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
CID 124893162
2-[(4-methoxyphenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155834762

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane (CID 124893679) is (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane is Cc1ccnc(O[C@@H]2CCOC3(C2)CN(S(C)(=O)=O)C3)n1.
What is the InChIKey of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is RFOKSXKSSXNEAU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-10-3-5-14-12(15-10)20-11-4-6-19-13(7-11)8-16(9-13)21(2,17)18/h3,5,11H,4,6-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane?
(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 313.38 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124893679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).