(2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone

C15H19NO3S — CID 56764624

IUPAC(2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCC2(CC1)OCCS2
InChIInChI=1S/C15H19NO3S/c1-18-13-5-3-2-4-12(13)14(17)16-8-6-15(7-9-16)19-10-11-20-15/h2-5H,6-11H2,1H3
InChIKeyLZJNEJKLXRRRIG-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.39
Rot. Bonds2

About (2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone

(2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 56764624) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is (2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID56764624
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name(2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCC2(CC1)OCCS2
InChIInChI=1S/C15H19NO3S/c1-18-13-5-3-2-4-12(13)14(17)16-8-6-15(7-9-16)19-10-11-20-15/h2-5H,6-11H2,1H3
InChIKeyLZJNEJKLXRRRIG-UHFFFAOYSA-N
XLogP2.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(2,3,4-trimethoxyphenyl)methanone
CID 90510678
8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one
CID 90510684
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxyphenyl)methanone
CID 125000712
naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 90510632
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
(5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 90510687
(2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone
CID 126474598
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
CID 110721382
(E)-1-[8-(2-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one
CID 42664798
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 115269834
(2,4-dichlorophenyl)-[8-(2-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 5218156

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (CID 56764624) is (2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone is COc1ccccc1C(=O)N1CCC2(CC1)OCCS2.
What is the InChIKey of (2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is LZJNEJKLXRRRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-18-13-5-3-2-4-12(13)14(17)16-8-6-15(7-9-16)19-10-11-20-15/h2-5H,6-11H2,1H3.
What are the key properties of (2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
(2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 293.39 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 56764624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).