[(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C18H26N2O3S — CID 97474485

IUPAC[(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC3(CC2)C[C@H](OCC2CCC2)CO3)cs1
InChIInChI=1S/C18H26N2O3S/c1-13-19-16(12-24-13)17(21)20-7-5-18(6-8-20)9-15(11-23-18)22-10-14-3-2-4-14/h12,14-15H,2-11H2,1H3/t15-/m0/s1
InChIKeyYESBISIQRRLZSA-HNNXBMFYSA-N
MW350.48 g/mol
LogP3.03
Rot. Bonds4

About [(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 97474485) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is [(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID97474485
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name[(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC3(CC2)C[C@H](OCC2CCC2)CO3)cs1
InChIInChI=1S/C18H26N2O3S/c1-13-19-16(12-24-13)17(21)20-7-5-18(6-8-20)9-15(11-23-18)22-10-14-3-2-4-14/h12,14-15H,2-11H2,1H3/t15-/m0/s1
InChIKeyYESBISIQRRLZSA-HNNXBMFYSA-N
XLogP3.03
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97418817
[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394897
[(3R)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394898
[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 97474497
[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone
CID 131652733
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 97419705
[(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 124813665
[(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-2-pyridinyl)methanone
CID 124792191
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone
CID 97477423
[(3R,5S)-3-(cyclobutylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(thian-4-yl)methanone
CID 97477603
N-[[(7S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124808651
[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3,4-difluorophenyl)methanone
CID 131659686

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 97474485) is [(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCC3(CC2)C[C@H](OCC2CCC2)CO3)cs1.
What is the InChIKey of [(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is YESBISIQRRLZSA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-13-19-16(12-24-13)17(21)20-7-5-18(6-8-20)9-15(11-23-18)22-10-14-3-2-4-14/h12,14-15H,2-11H2,1H3/t15-/m0/s1.
What are the key properties of [(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 350.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97474485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).