8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C16H24N2O6S2 — CID 7384392

IUPAC8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O6S2/c1-3-25(19,20)17-10-8-16(9-11-17)18(12-13-24-16)26(21,22)15-6-4-14(23-2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyJGGVCUBREGYXPI-UHFFFAOYSA-N
MW404.51 g/mol
LogP0.86
Rot. Bonds5

About 8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 7384392) has the molecular formula C16H24N2O6S2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID7384392
Molecular FormulaC16H24N2O6S2
Molecular Weight404.51 g/mol
Exact Mass404.11
IUPAC Name8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O6S2/c1-3-25(19,20)17-10-8-16(9-11-17)18(12-13-24-16)26(21,22)15-6-4-14(23-2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyJGGVCUBREGYXPI-UHFFFAOYSA-N
XLogP0.86
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 7384392) is 8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is JGGVCUBREGYXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S2/c1-3-25(19,20)17-10-8-16(9-11-17)18(12-13-24-16)26(21,22)15-6-4-14(23-2)5-7-15/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 404.51 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 7384392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).