3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C26H34N2O4S — CID 66901899

IUPAC3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(C)(C)c1ccc(CS(=O)(=O)N2CCC3(CC2)CN(Cc2ccccc2)C(=O)O3)cc1
InChIInChI=1S/C26H34N2O4S/c1-4-25(2,3)23-12-10-22(11-13-23)19-33(30,31)28-16-14-26(15-17-28)20-27(24(29)32-26)18-21-8-6-5-7-9-21/h5-13H,4,14-20H2,1-3H3
InChIKeyFGLSQKPIASPZKX-UHFFFAOYSA-N
MW470.64 g/mol
LogP4.69
Rot. Bonds7

About 3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 66901899) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is 3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID66901899
Molecular FormulaC26H34N2O4S
Molecular Weight470.64 g/mol
Exact Mass470.22
IUPAC Name3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(C)(C)c1ccc(CS(=O)(=O)N2CCC3(CC2)CN(Cc2ccccc2)C(=O)O3)cc1
InChIInChI=1S/C26H34N2O4S/c1-4-25(2,3)23-12-10-22(11-13-23)19-33(30,31)28-16-14-26(15-17-28)20-27(24(29)32-26)18-21-8-6-5-7-9-21/h5-13H,4,14-20H2,1-3H3
InChIKeyFGLSQKPIASPZKX-UHFFFAOYSA-N
XLogP4.69
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-tert-butylphenyl)methyl]-8-[(2-methyl-5-nitrophenyl)methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66902085
8-[(4-butoxyphenyl)methylsulfonyl]-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 15940643
7-benzylsulfonyl-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 91909942
3-benzyl-8-[[4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11993277
8-(3-bromobenzoyl)-3-[(4-tert-butylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66902134
8-(4-methylphenyl)sulfonyl-3-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901860
3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 77058995
tert-butyl 3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 158570326
1'-benzylsulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759022
8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 141062958
2-benzyl-9-ethylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72929649
3-benzyl-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901855

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 66901899) is 3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCC(C)(C)c1ccc(CS(=O)(=O)N2CCC3(CC2)CN(Cc2ccccc2)C(=O)O3)cc1.
What is the InChIKey of 3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FGLSQKPIASPZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-4-25(2,3)23-12-10-22(11-13-23)19-33(30,31)28-16-14-26(15-17-28)20-27(24(29)32-26)18-21-8-6-5-7-9-21/h5-13H,4,14-20H2,1-3H3.
What are the key properties of 3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 470.64 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 66901899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).