2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone

C15H14N2O3S — CID 56883935

IUPAC2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone
SMILESO=C(c1scc2c1OCCO2)N1CC(c2ccccn2)C1
InChIInChI=1S/C15H14N2O3S/c18-15(14-13-12(9-21-14)19-5-6-20-13)17-7-10(8-17)11-3-1-2-4-16-11/h1-4,9-10H,5-8H2
InChIKeyDMHSQMMAKGBNPQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.15
Rot. Bonds2

About 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone

2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone (PubChem CID 56883935) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone
PubChem CID56883935
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone
SMILESO=C(c1scc2c1OCCO2)N1CC(c2ccccn2)C1
InChIInChI=1S/C15H14N2O3S/c18-15(14-13-12(9-21-14)19-5-6-20-13)17-7-10(8-17)11-3-1-2-4-16-11/h1-4,9-10H,5-8H2
InChIKeyDMHSQMMAKGBNPQ-UHFFFAOYSA-N
XLogP2.15
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70730800
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97203995
(3-pyridin-2-ylazetidin-1-yl)-(2,3,4,5-tetrahydro-1-benzoxepin-4-yl)methanone
CID 72939982
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 709948
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 709945
(9aS)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95131200
[(3aR,9bR)-3a-(hydroxymethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone
CID 133124753
(4S,8S)-6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-3,17-dioxa-6,9,12,20,21,22-hexazatetracyclo[18.2.1.04,8.011,16]tricosa-1(23),11(16),12,14,21-pentaen-10-one
CID 131929360
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134703787
(5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95722187
5-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 118766761
[4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 72897730

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone?
The IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone (CID 56883935) is 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone is O=C(c1scc2c1OCCO2)N1CC(c2ccccn2)C1.
What is the InChIKey of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone?
The InChIKey is DMHSQMMAKGBNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-15(14-13-12(9-21-14)19-5-6-20-13)17-7-10(8-17)11-3-1-2-4-16-11/h1-4,9-10H,5-8H2.
What are the key properties of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone?
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone has a molecular weight of 302.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 56883935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).