ethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate

C11H14BrNO2S — CID 58293758

IUPACethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate
SMILESCCOC(=O)N1CCCc2sc(Br)cc2C1
InChIInChI=1S/C11H14BrNO2S/c1-2-15-11(14)13-5-3-4-9-8(7-13)6-10(12)16-9/h6H,2-5,7H2,1H3
InChIKeyGYEWASBQZLAEIF-UHFFFAOYSA-N
MW304.21 g/mol
LogP3.42
Rot. Bonds1

About ethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate

ethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate (PubChem CID 58293758) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is ethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate
PubChem CID58293758
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Nameethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate
SMILESCCOC(=O)N1CCCc2sc(Br)cc2C1
InChIInChI=1S/C11H14BrNO2S/c1-2-15-11(14)13-5-3-4-9-8(7-13)6-10(12)16-9/h6H,2-5,7H2,1H3
InChIKeyGYEWASBQZLAEIF-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate with MolForge

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Related Compounds

tert-butyl 2-bromo-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 19365864
tert-butyl 2-bromo-4H,5H,6H,7H,8H-thieno[3,2-c]azepine-5-carboxylate
CID 138040895
Ethyl 3-bromo-2-(trifluoromethyl)-4,5,7,8-tetrahydrothieno[2,3-d]azepine-6-carboxylate
CID 68474085
2-Trifluoromethyl-4,5,7,8-tetrahydro-thieno[2,3-d]azepine-6-carboxylic acid ethyl ester
CID 68475847
Tert-butyl 2-fluoro-4,5,6,8-tetrahydrothieno[2,3-c]azepine-7-carboxylate
CID 156193308
Tert-butyl 2-fluoro-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate
CID 156193337
Ethyl 2-bromo-4,5,7,8-tetrahydro-6H-thieno[2,3-d]azepine-6-carboxylate
CID 57354995
Tert-butyl 4,5,6,8-tetrahydrothieno[2,3-c]azepine-7-carboxylate
CID 58157792
2-Bromo-3-methyl-4,5,7,8-tetrahydro-thieno[2,3-d]azepine-6-carboxylic acid ethyl ester
CID 58256118
2,3-Dibromo-4,5,7,8-tetrahydro-thieno[2,3-d]azepine-6-carboxylic acid ethyl ester
CID 58256124
ethyl 2-bromo-4,4-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepine-6-carboxylate
CID 58293752
ethyl 5,6-dihydro-4H-thieno[2,3-c]azepine-7(8H)-carboxylate
CID 58293757

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate?
The IUPAC name of ethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate (CID 58293758) is ethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate.
What is the SMILES notation for ethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate?
The canonical SMILES for ethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate is CCOC(=O)N1CCCc2sc(Br)cc2C1.
What is the InChIKey of ethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate?
The InChIKey is GYEWASBQZLAEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-2-15-11(14)13-5-3-4-9-8(7-13)6-10(12)16-9/h6H,2-5,7H2,1H3.
What are the key properties of ethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate?
ethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate has a molecular weight of 304.21 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-4,6,7,8-tetrahydrothieno[3,2-c]azepine-5-carboxylate is sourced from PubChem (CID 58293758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).