1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone

C10H12BrNOS — CID 82378883

IUPAC1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone
SMILESCC(=O)N1CCc2csc(Br)c2CC1
InChIInChI=1S/C10H12BrNOS/c1-7(13)12-4-2-8-6-14-10(11)9(8)3-5-12/h6H,2-5H2,1H3
InChIKeyYOTNWGGVRFXJRJ-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.46
Rot. Bonds

About 1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone

1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone (PubChem CID 82378883) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone
PubChem CID82378883
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone
SMILESCC(=O)N1CCc2csc(Br)c2CC1
InChIInChI=1S/C10H12BrNOS/c1-7(13)12-4-2-8-6-14-10(11)9(8)3-5-12/h6H,2-5H2,1H3
InChIKeyYOTNWGGVRFXJRJ-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride
CID 82341872
1-(7-bromo-8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 167916696
1-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 16750376
1-(8-bromo-7-methoxy-6-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 21242880
1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121184138
1-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 58777842
3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide
CID 83488848
1-acetylpiperidin-4-one;ethane
CID 91328133
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474
1-(5-amino-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 115023573
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane
CID 177140878

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone?
The IUPAC name of 1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone (CID 82378883) is 1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone?
The canonical SMILES for 1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone is CC(=O)N1CCc2csc(Br)c2CC1.
What is the InChIKey of 1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone?
The InChIKey is YOTNWGGVRFXJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c1-7(13)12-4-2-8-6-14-10(11)9(8)3-5-12/h6H,2-5H2,1H3.
What are the key properties of 1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone?
1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone has a molecular weight of 274.18 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone is sourced from PubChem (CID 82378883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).