6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one

C9H11NOS — CID 54173066

IUPAC6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one
SMILESCN1CCc2sccc2CC1=O
InChIInChI=1S/C9H11NOS/c1-10-4-2-8-7(3-5-12-8)6-9(10)11/h3,5H,2,4,6H2,1H3
InChIKeyOWJJASQGPKBUAQ-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.31
Rot. Bonds

About 6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one

6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one (PubChem CID 54173066) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one.

Molecular Properties

Compound Name6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one
PubChem CID54173066
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one
SMILESCN1CCc2sccc2CC1=O
InChIInChI=1S/C9H11NOS/c1-10-4-2-8-7(3-5-12-8)6-9(10)11/h3,5H,2,4,6H2,1H3
InChIKeyOWJJASQGPKBUAQ-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one?
The IUPAC name of 6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one (CID 54173066) is 6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one.
What is the SMILES notation for 6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one?
The canonical SMILES for 6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one is CN1CCc2sccc2CC1=O.
What is the InChIKey of 6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one?
The InChIKey is OWJJASQGPKBUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-10-4-2-8-7(3-5-12-8)6-9(10)11/h3,5H,2,4,6H2,1H3.
What are the key properties of 6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one?
6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one has a molecular weight of 181.26 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7,8-dihydro-4H-thieno[2,3-d]azepin-5-one is sourced from PubChem (CID 54173066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).