1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone

C25H26N2O5S — CID 22584242

IUPAC1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H26N2O5S/c28-24(19-31-22-11-10-20-6-4-5-7-21(20)18-22)26-14-12-25(13-15-26)27(16-17-32-25)33(29,30)23-8-2-1-3-9-23/h1-11,18H,12-17,19H2
InChIKeyHZEUDZGPZPXYEZ-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.26
Rot. Bonds5

About 1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone

1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 22584242) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone
PubChem CID22584242
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H26N2O5S/c28-24(19-31-22-11-10-20-6-4-5-7-21(20)18-22)26-14-12-25(13-15-26)27(16-17-32-25)33(29,30)23-8-2-1-3-9-23/h1-11,18H,12-17,19H2
InChIKeyHZEUDZGPZPXYEZ-UHFFFAOYSA-N
XLogP3.26
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 7295622
2-(4-chlorophenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 20962437
1-[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone
CID 20962498
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-yloxyethanone
CID 90510476
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072046
2-(4-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 22584149
[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone
CID 7295643
tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate
CID 52918623
(2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone
CID 16803302
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618218
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone (CID 22584242) is 1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone is O=C(COc1ccc2ccccc2c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is HZEUDZGPZPXYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c28-24(19-31-22-11-10-20-6-4-5-7-21(20)18-22)26-14-12-25(13-15-26)27(16-17-32-25)33(29,30)23-8-2-1-3-9-23/h1-11,18H,12-17,19H2.
What are the key properties of 1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone?
1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 466.56 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 22584242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).