5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide

C11H13NO2S — CID 153093945

IUPAC5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide
SMILESCCC1(C)C=CC=C2C(=N1)C=CS2(=O)=O
InChIInChI=1S/C11H13NO2S/c1-3-11(2)7-4-5-10-9(12-11)6-8-15(10,13)14/h4-8H,3H2,1-2H3
InChIKeyVPSMRSZPJVYADR-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.99
Rot. Bonds1

About 5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide

5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide (PubChem CID 153093945) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide.

Molecular Properties

Compound Name5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide
PubChem CID153093945
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide
SMILESCCC1(C)C=CC=C2C(=N1)C=CS2(=O)=O
InChIInChI=1S/C11H13NO2S/c1-3-11(2)7-4-5-10-9(12-11)6-8-15(10,13)14/h4-8H,3H2,1-2H3
InChIKeyVPSMRSZPJVYADR-UHFFFAOYSA-N
XLogP1.99
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Dimethylthieno[3,2-b]azepine 1,1-dioxide
CID 70313446
5,5-Dimethylthieno[2,3-d]azepine 1,1-dioxide
CID 143593377

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide?
The IUPAC name of 5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide (CID 153093945) is 5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide.
What is the SMILES notation for 5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide?
The canonical SMILES for 5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide is CCC1(C)C=CC=C2C(=N1)C=CS2(=O)=O.
What is the InChIKey of 5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide?
The InChIKey is VPSMRSZPJVYADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-3-11(2)7-4-5-10-9(12-11)6-8-15(10,13)14/h4-8H,3H2,1-2H3.
What are the key properties of 5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide?
5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide has a molecular weight of 223.30 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide is sourced from PubChem (CID 153093945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).