(4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane

C14H22N2O2S — CID 97375095

IUPAC(4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCOC[C@@H]1CCC[C@@]12CN(Cc1nccs1)CCO2
InChIInChI=1S/C14H22N2O2S/c1-17-10-12-3-2-4-14(12)11-16(6-7-18-14)9-13-15-5-8-19-13/h5,8,12H,2-4,6-7,9-11H2,1H3/t12-,14+/m0/s1
InChIKeyDZXYIVXRJRIKSI-GXTWGEPZSA-N
MW282.41 g/mol
LogP2.16
Rot. Bonds4

About (4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane

(4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 97375095) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID97375095
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCOC[C@@H]1CCC[C@@]12CN(Cc1nccs1)CCO2
InChIInChI=1S/C14H22N2O2S/c1-17-10-12-3-2-4-14(12)11-16(6-7-18-14)9-13-15-5-8-19-13/h5,8,12H,2-4,6-7,9-11H2,1H3/t12-,14+/m0/s1
InChIKeyDZXYIVXRJRIKSI-GXTWGEPZSA-N
XLogP2.16
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane (CID 97375095) is (4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane is COC[C@@H]1CCC[C@@]12CN(Cc1nccs1)CCO2.
What is the InChIKey of (4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is DZXYIVXRJRIKSI-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-17-10-12-3-2-4-14(12)11-16(6-7-18-14)9-13-15-5-8-19-13/h5,8,12H,2-4,6-7,9-11H2,1H3/t12-,14+/m0/s1.
What are the key properties of (4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
(4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 282.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97375095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).