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

C15H24N2O2S — CID 97375125

IUPAC(4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCCOC[C@@H]1CCC[C@@]12CN(Cc1nccs1)CCO2
InChIInChI=1S/C15H24N2O2S/c1-2-18-11-13-4-3-5-15(13)12-17(7-8-19-15)10-14-16-6-9-20-14/h6,9,13H,2-5,7-8,10-12H2,1H3/t13-,15+/m0/s1
InChIKeyLBYZMUGFLKDCEX-DZGCQCFKSA-N
MW296.44 g/mol
LogP2.55
Rot. Bonds5

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

(4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 97375125) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID97375125
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCCOC[C@@H]1CCC[C@@]12CN(Cc1nccs1)CCO2
InChIInChI=1S/C15H24N2O2S/c1-2-18-11-13-4-3-5-15(13)12-17(7-8-19-15)10-14-16-6-9-20-14/h6,9,13H,2-5,7-8,10-12H2,1H3/t13-,15+/m0/s1
InChIKeyLBYZMUGFLKDCEX-DZGCQCFKSA-N
XLogP2.55
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97385057
(2R,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97392664
N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118745959
(4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155836823
2-(Cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 50956237
3-methoxy-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 97451820
(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97451822
(4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97451825
N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125218439
(2R)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 95123430
(2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 95123431
(3R,5R)-3-prop-2-enoxy-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97371560

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane (CID 97375125) is (4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane is CCOC[C@@H]1CCC[C@@]12CN(Cc1nccs1)CCO2.
What is the InChIKey of (4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is LBYZMUGFLKDCEX-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-18-11-13-4-3-5-15(13)12-17(7-8-19-15)10-14-16-6-9-20-14/h6,9,13H,2-5,7-8,10-12H2,1H3/t13-,15+/m0/s1.
What are the key properties of (4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane?
(4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 296.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97375125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).