2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone

C14H19NO3S — CID 709945

IUPAC2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1scc2c1OCCO2
InChIInChI=1S/C14H19NO3S/c1-9-4-3-5-10(2)15(9)14(16)13-12-11(8-19-13)17-6-7-18-12/h8-10H,3-7H2,1-2H3/t9-,10+
InChIKeySVLXVYGKEJSGQU-AOOOYVTPSA-N
MW281.38 g/mol
LogP2.92
Rot. Bonds1

About 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone

2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 709945) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID709945
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1scc2c1OCCO2
InChIInChI=1S/C14H19NO3S/c1-9-4-3-5-10(2)15(9)14(16)13-12-11(8-19-13)17-6-7-18-12/h8-10H,3-7H2,1-2H3/t9-,10+
InChIKeySVLXVYGKEJSGQU-AOOOYVTPSA-N
XLogP2.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 709948
(3-bromothiophen-2-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103715039
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 56883935
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone
CID 70708030
[(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125173093
N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 118780867
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
[(3aR,6S,7aS)-6-hydroxy-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone
CID 118762501
2-chloro-1-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroethanone
CID 170999784
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone
CID 67450946
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70730800

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone (CID 709945) is 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone is C[C@@H]1CCC[C@H](C)N1C(=O)c1scc2c1OCCO2.
What is the InChIKey of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is SVLXVYGKEJSGQU-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9-4-3-5-10(2)15(9)14(16)13-12-11(8-19-13)17-6-7-18-12/h8-10H,3-7H2,1-2H3/t9-,10+.
What are the key properties of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone?
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 281.38 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 709945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).