[1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone

C22H30N2O5S — CID 146066618

IUPAC[1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CC4(C3)C(CN3CCOCC3)CCS4(=O)=O)CC2)cc1
InChIInChI=1S/C22H30N2O5S/c1-28-19-4-2-17(3-5-19)21(7-8-21)20(25)24-15-22(16-24)18(6-13-30(22,26)27)14-23-9-11-29-12-10-23/h2-5,18H,6-16H2,1H3
InChIKeyRZGUNCJTKFHXBJ-UHFFFAOYSA-N
MW434.56 g/mol
LogP1.07
Rot. Bonds5

About [1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone

[1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 146066618) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID146066618
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC Name[1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CC4(C3)C(CN3CCOCC3)CCS4(=O)=O)CC2)cc1
InChIInChI=1S/C22H30N2O5S/c1-28-19-4-2-17(3-5-19)21(7-8-21)20(25)24-15-22(16-24)18(6-13-30(22,26)27)14-23-9-11-29-12-10-23/h2-5,18H,6-16H2,1H3
InChIKeyRZGUNCJTKFHXBJ-UHFFFAOYSA-N
XLogP1.07
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(4-methoxyphenyl)cyclopropyl]-[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

(6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 146066586
1H-indol-5-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 146066593
[1-(4-methoxyphenyl)cyclopropyl]-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 91831896
[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 91781820
[6-(hydroxymethyl)-6-methyl-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 166305136
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 124994936
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 56914468
[1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone
CID 110485731
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 164695618
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
(2R)-4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]morpholine-2-carboxamide
CID 94370776
4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
CID 100687083

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone (CID 146066618) is [1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for [1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone is COc1ccc(C2(C(=O)N3CC4(C3)C(CN3CCOCC3)CCS4(=O)=O)CC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is RZGUNCJTKFHXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-28-19-4-2-17(3-5-19)21(7-8-21)20(25)24-15-22(16-24)18(6-13-30(22,26)27)14-23-9-11-29-12-10-23/h2-5,18H,6-16H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
[1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 434.56 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 146066618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).