furan-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone

C16H22N2O5S — CID 146066617

IUPACfuran-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESO=C(c1ccco1)N1CC2(C1)C(CN1CCOCC1)CCS2(=O)=O
InChIInChI=1S/C16H22N2O5S/c19-15(14-2-1-6-23-14)18-11-16(12-18)13(3-9-24(16,20)21)10-17-4-7-22-8-5-17/h1-2,6,13H,3-5,7-12H2
InChIKeyXCPRTJNULMKVBG-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.24
Rot. Bonds3

About furan-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone

furan-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 146066617) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is furan-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID146066617
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Namefuran-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESO=C(c1ccco1)N1CC2(C1)C(CN1CCOCC1)CCS2(=O)=O
InChIInChI=1S/C16H22N2O5S/c19-15(14-2-1-6-23-14)18-11-16(12-18)13(3-9-24(16,20)21)10-17-4-7-22-8-5-17/h1-2,6,13H,3-5,7-12H2
InChIKeyXCPRTJNULMKVBG-UHFFFAOYSA-N
XLogP0.24
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze furan-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone with MolForge

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Related Compounds

1H-indol-5-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 146066593
(6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 146066586
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 78887090
[8-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(furan-2-yl)methanone
CID 146073636
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
4-(furan-2-carbonyl)-N'-methyl-N-(2-morpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119130385
2-[3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 74576696
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)furan-2-carboxamide
CID 90607378
[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone
CID 97397948

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of furan-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone (CID 146066617) is furan-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for furan-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for furan-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone is O=C(c1ccco1)N1CC2(C1)C(CN1CCOCC1)CCS2(=O)=O.
What is the InChIKey of furan-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is XCPRTJNULMKVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c19-15(14-2-1-6-23-14)18-11-16(12-18)13(3-9-24(16,20)21)10-17-4-7-22-8-5-17/h1-2,6,13H,3-5,7-12H2.
What are the key properties of furan-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
furan-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 354.43 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 146066617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).