[(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C15H22N2O3S — CID 131683793

IUPAC[(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCOC[C@@H]1CCC[C@@]12CN(C(=O)c1csc(C)n1)CCO2
InChIInChI=1S/C15H22N2O3S/c1-11-16-13(9-21-11)14(18)17-6-7-20-15(10-17)5-3-4-12(15)8-19-2/h9,12H,3-8,10H2,1-2H3/t12-,15+/m0/s1
InChIKeyQVUVZDDYYVMXCX-SWLSCSKDSA-N
MW310.42 g/mol
LogP2.11
Rot. Bonds3

About [(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 131683793) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID131683793
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCOC[C@@H]1CCC[C@@]12CN(C(=O)c1csc(C)n1)CCO2
InChIInChI=1S/C15H22N2O3S/c1-11-16-13(9-21-11)14(18)17-6-7-20-15(10-17)5-3-4-12(15)8-19-2/h9,12H,3-8,10H2,1-2H3/t12-,15+/m0/s1
InChIKeyQVUVZDDYYVMXCX-SWLSCSKDSA-N
XLogP2.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 98776933
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 155834486
(4S,5S)-N,N-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97451839
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97452420
[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
CID 98776893
[(4S,5R)-4-(ethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 98776941
(2-methyl-1,3-thiazol-4-yl)-[8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131658059
(2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride
CID 67291637
(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 171318311
(5-methyl-1,2-oxazol-3-yl)-[(4R,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97452476
[(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97474485
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 131683793) is [(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is COC[C@@H]1CCC[C@@]12CN(C(=O)c1csc(C)n1)CCO2.
What is the InChIKey of [(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is QVUVZDDYYVMXCX-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-16-13(9-21-11)14(18)17-6-7-20-15(10-17)5-3-4-12(15)8-19-2/h9,12H,3-8,10H2,1-2H3/t12-,15+/m0/s1.
What are the key properties of [(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 310.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131683793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).