[(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone

C20H20F2N2O5S2 — CID 91181350

IUPAC[(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone
SMILESO=C=S(=O)(c1ccc(F)cc1)N1CCOC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C20H20F2N2O5S2/c21-16-1-5-18(6-2-16)30(26,15-25)24-13-14-29-20(24)9-11-23(12-10-20)31(27,28)19-7-3-17(22)4-8-19/h1-8H,9-14H2
InChIKeySRUMVFFPJSWWFK-UHFFFAOYSA-N
MW470.52 g/mol
LogP2.10
Rot. Bonds4

About [(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone

[(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone (PubChem CID 91181350) has the molecular formula C20H20F2N2O5S2 and a molecular weight of 470.52 g/mol. Its IUPAC name is [(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone.

Molecular Properties

Compound Name[(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone
PubChem CID91181350
Molecular FormulaC20H20F2N2O5S2
Molecular Weight470.52 g/mol
Exact Mass470.08
IUPAC Name[(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone
SMILESO=C=S(=O)(c1ccc(F)cc1)N1CCOC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C20H20F2N2O5S2/c21-16-1-5-18(6-2-16)30(26,15-25)24-13-14-29-20(24)9-11-23(12-10-20)31(27,28)19-7-3-17(22)4-8-19/h1-8H,9-14H2
InChIKeySRUMVFFPJSWWFK-UHFFFAOYSA-N
XLogP2.10
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone?
The IUPAC name of [(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone (CID 91181350) is [(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone.
What is the SMILES notation for [(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone?
The canonical SMILES for [(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone is O=C=S(=O)(c1ccc(F)cc1)N1CCOC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of [(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone?
The InChIKey is SRUMVFFPJSWWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O5S2/c21-16-1-5-18(6-2-16)30(26,15-25)24-13-14-29-20(24)9-11-23(12-10-20)31(27,28)19-7-3-17(22)4-8-19/h1-8H,9-14H2.
What are the key properties of [(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone?
[(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone has a molecular weight of 470.52 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-oxo-λ6-sulfanylidene]methanone is sourced from PubChem (CID 91181350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).