[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone

C16H22N2O3S — CID 97419699

IUPAC[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1
InChIInChI=1S/C16H22N2O3S/c19-15(14-9-22-11-17-14)18-5-1-4-16(10-18)6-13(8-21-16)20-7-12-2-3-12/h9,11-13H,1-8,10H2/t13-,16-/m0/s1
InChIKeyRRUALKCTTRKKJO-BBRMVZONSA-N
MW322.43 g/mol
LogP2.33
Rot. Bonds4

About [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone

[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 97419699) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID97419699
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1
InChIInChI=1S/C16H22N2O3S/c19-15(14-9-22-11-17-14)18-5-1-4-16(10-18)6-13(8-21-16)20-7-12-2-3-12/h9,11-13H,1-8,10H2/t13-,16-/m0/s1
InChIKeyRRUALKCTTRKKJO-BBRMVZONSA-N
XLogP2.33
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone (CID 97419699) is [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1.
What is the InChIKey of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is RRUALKCTTRKKJO-BBRMVZONSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-15(14-9-22-11-17-14)18-5-1-4-16(10-18)6-13(8-21-16)20-7-12-2-3-12/h9,11-13H,1-8,10H2/t13-,16-/m0/s1.
What are the key properties of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone?
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 322.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97419699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).