(8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane

C13H18N2O4S — CID 124781639

IUPAC(8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCS(=O)(=O)N1CC2(C1)OCC[C@H]2COc1ccccn1
InChIInChI=1S/C13H18N2O4S/c1-20(16,17)15-9-13(10-15)11(5-7-19-13)8-18-12-4-2-3-6-14-12/h2-4,6,11H,5,7-10H2,1H3/t11-/m0/s1
InChIKeyACGRMWNADOLKHD-NSHDSACASA-N
MW298.36 g/mol
LogP0.51
Rot. Bonds4

About (8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane

(8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124781639) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is (8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID124781639
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name(8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCS(=O)(=O)N1CC2(C1)OCC[C@H]2COc1ccccn1
InChIInChI=1S/C13H18N2O4S/c1-20(16,17)15-9-13(10-15)11(5-7-19-13)8-18-12-4-2-3-6-14-12/h2-4,6,11H,5,7-10H2,1H3/t11-/m0/s1
InChIKeyACGRMWNADOLKHD-NSHDSACASA-N
XLogP0.51
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane with MolForge

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Related Compounds

(4R)-8-methylsulfonyl-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124783917
(8R)-2-methylsulfonyl-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124782572
(8R)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124795040
(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124911905
(8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124893412
1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124794656
(8R)-2-ethylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124895164
(8S)-N,N-dimethyl-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide
CID 124805483
(4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97451863
4-methyl-1-[8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]pentan-1-one;2,2,2-trifluoroacetic acid
CID 155861378
2-cyclopropylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155851762
2-(benzenesulfonyl)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155862897

Frequently Asked Questions

What is the IUPAC name of (8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane (CID 124781639) is (8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane is CS(=O)(=O)N1CC2(C1)OCC[C@H]2COc1ccccn1.
What is the InChIKey of (8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is ACGRMWNADOLKHD-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-20(16,17)15-9-13(10-15)11(5-7-19-13)8-18-12-4-2-3-6-14-12/h2-4,6,11H,5,7-10H2,1H3/t11-/m0/s1.
What are the key properties of (8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
(8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 298.36 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124781639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).