[(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone

C18H27N3O2S — CID 98895050

IUPAC[(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
SMILESCc1csc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C18H27N3O2S/c1-14-12-24-16(19-14)11-20-6-5-18(13-20)4-2-3-15(18)17(22)21-7-9-23-10-8-21/h12,15H,2-11,13H2,1H3/t15-,18+/m1/s1
InChIKeySRYOJRTXLWYKPH-QAPCUYQASA-N
MW349.50 g/mol
LogP2.30
Rot. Bonds3

About [(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone

[(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone (PubChem CID 98895050) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is [(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
PubChem CID98895050
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name[(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
SMILESCc1csc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C18H27N3O2S/c1-14-12-24-16(19-14)11-20-6-5-18(13-20)4-2-3-15(18)17(22)21-7-9-23-10-8-21/h12,15H,2-11,13H2,1H3/t15-,18+/m1/s1
InChIKeySRYOJRTXLWYKPH-QAPCUYQASA-N
XLogP2.30
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(5R,9R)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895994
morpholin-4-yl-[2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 131697489
[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98897335
[2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 131645555
morpholin-4-yl-[(5R,9R)-2-(pyridin-3-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 124787358
morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
CID 97375379
[(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone
CID 124797033
(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 125220060
[(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98896559
(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896562
(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896563
[(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone
CID 98896012

Frequently Asked Questions

What is the IUPAC name of [(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone (CID 98895050) is [(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone is Cc1csc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)n1.
What is the InChIKey of [(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
The InChIKey is SRYOJRTXLWYKPH-QAPCUYQASA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14-12-24-16(19-14)11-20-6-5-18(13-20)4-2-3-15(18)17(22)21-7-9-23-10-8-21/h12,15H,2-11,13H2,1H3/t15-,18+/m1/s1.
What are the key properties of [(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
[(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone has a molecular weight of 349.50 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 98895050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).