2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C16H15NO3S — CID 30454724

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)N1CCc2sccc2C1
InChIInChI=1S/C16H15NO3S/c18-16(17-5-3-15-12(10-17)4-8-21-15)11-1-2-13-14(9-11)20-7-6-19-13/h1-2,4,8-9H,3,5-7,10H2
InChIKeyFCHVANBQGWHNIX-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.72
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 30454724) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID30454724
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)N1CCc2sccc2C1
InChIInChI=1S/C16H15NO3S/c18-16(17-5-3-15-12(10-17)4-8-21-15)11-1-2-13-14(9-11)20-7-6-19-13/h1-2,4,8-9H,3,5-7,10H2
InChIKeyFCHVANBQGWHNIX-UHFFFAOYSA-N
XLogP2.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one
CID 42470661
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 113257128
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrazolo[1,5-a]pyridin-5-yl)methanone
CID 155498832
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-indazol-6-yl)methanone
CID 60715121
5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid
CID 43414813
(2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 155498804
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-pyrazol-4-yl)methanone
CID 43582358
4-(1,3-benzodioxole-5-carbonyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440628
[4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 17476869
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 17454978

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 30454724) is 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is O=C(c1ccc2c(c1)OCCO2)N1CCc2sccc2C1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is FCHVANBQGWHNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-16(17-5-3-15-12(10-17)4-8-21-15)11-1-2-13-14(9-11)20-7-6-19-13/h1-2,4,8-9H,3,5-7,10H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 301.37 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 30454724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).