(6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone

C18H25N3O5S — CID 146066586

IUPAC(6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCOc1ccc(C(=O)N2CC3(C2)C(CN2CCOCC2)CCS3(=O)=O)cn1
InChIInChI=1S/C18H25N3O5S/c1-25-16-3-2-14(10-19-16)17(22)21-12-18(13-21)15(4-9-27(18,23)24)11-20-5-7-26-8-6-20/h2-3,10,15H,4-9,11-13H2,1H3
InChIKeyWLRGTIWZUYOODJ-UHFFFAOYSA-N
MW395.48 g/mol
LogP0.05
Rot. Bonds4

About (6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone

(6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 146066586) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID146066586
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name(6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCOc1ccc(C(=O)N2CC3(C2)C(CN2CCOCC2)CCS3(=O)=O)cn1
InChIInChI=1S/C18H25N3O5S/c1-25-16-3-2-14(10-19-16)17(22)21-12-18(13-21)15(4-9-27(18,23)24)11-20-5-7-26-8-6-20/h2-3,10,15H,4-9,11-13H2,1H3
InChIKeyWLRGTIWZUYOODJ-UHFFFAOYSA-N
XLogP0.05
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone with MolForge

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Launch Full Analysis

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
[1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 146066618
[(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone
CID 124817712
(3,3-difluoroazetidin-1-yl)-(6-methoxy-3-pyridinyl)methanone
CID 122269367
[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(6-methoxy-3-pyridinyl)methanone
CID 91927468
(6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 90652589
[6-[(2R)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 92623624
6-methoxy-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 47126571
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
(5S)-2-(6-methoxypyridine-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195142
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone (CID 146066586) is (6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone is COc1ccc(C(=O)N2CC3(C2)C(CN2CCOCC2)CCS3(=O)=O)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is WLRGTIWZUYOODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-25-16-3-2-14(10-19-16)17(22)21-12-18(13-21)15(4-9-27(18,23)24)11-20-5-7-26-8-6-20/h2-3,10,15H,4-9,11-13H2,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
(6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 395.48 g/mol, XLogP of 0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 146066586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).