(3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane

C15H22N2O2S — CID 97371560

IUPAC(3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
SMILESC=CCO[C@H]1CO[C@]2(CCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C15H22N2O2S/c1-2-7-18-13-9-15(19-11-13)4-3-6-17(12-15)10-14-16-5-8-20-14/h2,5,8,13H,1,3-4,6-7,9-12H2/t13-,15-/m1/s1
InChIKeyNLOSDCHJZOORRG-UKRRQHHQSA-N
MW294.42 g/mol
LogP2.47
Rot. Bonds5

About (3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane

(3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97371560) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
PubChem CID97371560
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
SMILESC=CCO[C@H]1CO[C@]2(CCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C15H22N2O2S/c1-2-7-18-13-9-15(19-11-13)4-3-6-17(12-15)10-14-16-5-8-20-14/h2,5,8,13H,1,3-4,6-7,9-12H2/t13-,15-/m1/s1
InChIKeyNLOSDCHJZOORRG-UKRRQHHQSA-N
XLogP2.47
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane (CID 97371560) is (3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane is C=CCO[C@H]1CO[C@]2(CCCN(Cc3nccs3)C2)C1.
What is the InChIKey of (3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is NLOSDCHJZOORRG-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-7-18-13-9-15(19-11-13)4-3-6-17(12-15)10-14-16-5-8-20-14/h2,5,8,13H,1,3-4,6-7,9-12H2/t13-,15-/m1/s1.
What are the key properties of (3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane?
(3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 294.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97371560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).