(7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one

C15H14BrNOS — CID 791055

IUPAC(7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one
SMILESO=C1C[C@@H](c2ccccc2)CCc2sc(Br)cc2N1
InChIInChI=1S/C15H14BrNOS/c16-14-9-12-13(19-14)7-6-11(8-15(18)17-12)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,17,18)/t11-/m0/s1
InChIKeyKCEFDBWUOXNUPM-NSHDSACASA-N
MW336.25 g/mol
LogP4.57
Rot. Bonds1

About (7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one

(7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one (PubChem CID 791055) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is (7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one.

Molecular Properties

Compound Name(7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one
PubChem CID791055
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name(7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one
SMILESO=C1C[C@@H](c2ccccc2)CCc2sc(Br)cc2N1
InChIInChI=1S/C15H14BrNOS/c16-14-9-12-13(19-14)7-6-11(8-15(18)17-12)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,17,18)/t11-/m0/s1
InChIKeyKCEFDBWUOXNUPM-NSHDSACASA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one with MolForge

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Related Compounds

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5-phenyldiazinan-3-one
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6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
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(8S)-8-phenylcyclodecane-1,3,6-trione
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2-bromo-5-phenylcyclohexene-1-carbaldehyde
CID 102027984
(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 738643
(5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51669604
(2R)-2-(3-bromophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 6923688
(3R)-3-phenylcyclohexan-1-one
CID 11041212
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CID 101479515

Frequently Asked Questions

What is the IUPAC name of (7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one?
The IUPAC name of (7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one (CID 791055) is (7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one.
What is the SMILES notation for (7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one?
The canonical SMILES for (7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one is O=C1C[C@@H](c2ccccc2)CCc2sc(Br)cc2N1.
What is the InChIKey of (7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one?
The InChIKey is KCEFDBWUOXNUPM-NSHDSACASA-N. The full InChI is InChI=1S/C15H14BrNOS/c16-14-9-12-13(19-14)7-6-11(8-15(18)17-12)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,17,18)/t11-/m0/s1.
What are the key properties of (7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one?
(7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one has a molecular weight of 336.25 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-bromo-7-phenyl-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-5-one is sourced from PubChem (CID 791055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).