5,5-dimethylthieno[3,2-b]azepine

C10H11NS — CID 70310908

IUPAC5,5-dimethylthieno[3,2-b]azepine
SMILESCC1(C)C=CC=c2sccc2=N1
InChIInChI=1S/C10H11NS/c1-10(2)6-3-4-9-8(11-10)5-7-12-9/h3-7H,1-2H3
InChIKeyMHFSSOSKMXAOTH-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.50
Rot. Bonds

About 5,5-dimethylthieno[3,2-b]azepine

5,5-dimethylthieno[3,2-b]azepine (PubChem CID 70310908) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 5,5-dimethylthieno[3,2-b]azepine.

Molecular Properties

Compound Name5,5-dimethylthieno[3,2-b]azepine
PubChem CID70310908
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name5,5-dimethylthieno[3,2-b]azepine
SMILESCC1(C)C=CC=c2sccc2=N1
InChIInChI=1S/C10H11NS/c1-10(2)6-3-4-9-8(11-10)5-7-12-9/h3-7H,1-2H3
InChIKeyMHFSSOSKMXAOTH-UHFFFAOYSA-N
XLogP1.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylthieno[3,2-b]azepine?
The IUPAC name of 5,5-dimethylthieno[3,2-b]azepine (CID 70310908) is 5,5-dimethylthieno[3,2-b]azepine.
What is the SMILES notation for 5,5-dimethylthieno[3,2-b]azepine?
The canonical SMILES for 5,5-dimethylthieno[3,2-b]azepine is CC1(C)C=CC=c2sccc2=N1.
What is the InChIKey of 5,5-dimethylthieno[3,2-b]azepine?
The InChIKey is MHFSSOSKMXAOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-10(2)6-3-4-9-8(11-10)5-7-12-9/h3-7H,1-2H3.
What are the key properties of 5,5-dimethylthieno[3,2-b]azepine?
5,5-dimethylthieno[3,2-b]azepine has a molecular weight of 177.27 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylthieno[3,2-b]azepine is sourced from PubChem (CID 70310908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).