[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone

C12H16N2O3S — CID 110159393

IUPAC[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone
SMILESCO[C@H]1CN(C(=O)c2cncs2)C[C@@]12CCCO2
InChIInChI=1S/C12H16N2O3S/c1-16-10-6-14(7-12(10)3-2-4-17-12)11(15)9-5-13-8-18-9/h5,8,10H,2-4,6-7H2,1H3/t10-,12-/m0/s1
InChIKeyAHAWOESDEFZGJI-JQWIXIFHSA-N
MW268.34 g/mol
LogP1.16
Rot. Bonds2

About [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone

[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 110159393) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID110159393
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone
SMILESCO[C@H]1CN(C(=O)c2cncs2)C[C@@]12CCCO2
InChIInChI=1S/C12H16N2O3S/c1-16-10-6-14(7-12(10)3-2-4-17-12)11(15)9-5-13-8-18-9/h5,8,10H,2-4,6-7H2,1H3/t10-,12-/m0/s1
InChIKeyAHAWOESDEFZGJI-JQWIXIFHSA-N
XLogP1.16
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone (CID 110159393) is [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone is CO[C@H]1CN(C(=O)c2cncs2)C[C@@]12CCCO2.
What is the InChIKey of [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is AHAWOESDEFZGJI-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-16-10-6-14(7-12(10)3-2-4-17-12)11(15)9-5-13-8-18-9/h5,8,10H,2-4,6-7H2,1H3/t10-,12-/m0/s1.
What are the key properties of [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone?
[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 268.34 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110159393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).