5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide

C10H11NO2S — CID 70313446

IUPAC5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide
SMILESCC1(C)C=CC=C2C(=N1)C=CS2(=O)=O
InChIInChI=1S/C10H11NO2S/c1-10(2)6-3-4-9-8(11-10)5-7-14(9,12)13/h3-7H,1-2H3
InChIKeyJDUQATJFURJHTR-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.60
Rot. Bonds

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

5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide (PubChem CID 70313446) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide.

Molecular Properties

Compound Name5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide
PubChem CID70313446
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide
SMILESCC1(C)C=CC=C2C(=N1)C=CS2(=O)=O
InChIInChI=1S/C10H11NO2S/c1-10(2)6-3-4-9-8(11-10)5-7-14(9,12)13/h3-7H,1-2H3
InChIKeyJDUQATJFURJHTR-UHFFFAOYSA-N
XLogP1.60
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide?
The IUPAC name of 5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide (CID 70313446) is 5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide.
What is the SMILES notation for 5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide?
The canonical SMILES for 5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide is CC1(C)C=CC=C2C(=N1)C=CS2(=O)=O.
What is the InChIKey of 5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide?
The InChIKey is JDUQATJFURJHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-10(2)6-3-4-9-8(11-10)5-7-14(9,12)13/h3-7H,1-2H3.
What are the key properties of 5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide?
5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide has a molecular weight of 209.27 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylthieno[3,2-b]azepine 1,1-dioxide is sourced from PubChem (CID 70313446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).