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

C10H11NO2S — CID 143593377

IUPAC5,5-dimethylthieno[2,3-d]azepine 1,1-dioxide
SMILESCC1(C)C=C2C=CS(=O)(=O)C2=CC=N1
InChIInChI=1S/C10H11NO2S/c1-10(2)7-8-4-6-14(12,13)9(8)3-5-11-10/h3-7H,1-2H3
InChIKeyHCLPKAUMAPTRAF-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.60
Rot. Bonds

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

5,5-dimethylthieno[2,3-d]azepine 1,1-dioxide (PubChem CID 143593377) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 5,5-dimethylthieno[2,3-d]azepine 1,1-dioxide.

Molecular Properties

Compound Name5,5-dimethylthieno[2,3-d]azepine 1,1-dioxide
PubChem CID143593377
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name5,5-dimethylthieno[2,3-d]azepine 1,1-dioxide
SMILESCC1(C)C=C2C=CS(=O)(=O)C2=CC=N1
InChIInChI=1S/C10H11NO2S/c1-10(2)7-8-4-6-14(12,13)9(8)3-5-11-10/h3-7H,1-2H3
InChIKeyHCLPKAUMAPTRAF-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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Related Compounds

5,5-Dimethylthieno[2,3-d]azepine
CID 70311060
5,5-Dimethylthieno[3,2-b]azepine 1,1-dioxide
CID 70313446
5,5-Dimethylthieno[2,3-c]azepine 1,1-dioxide
CID 143253572
(2E,4E)-N-methyl-4-methylsulfonyl-3-prop-1-en-2-ylhepta-2,4,6-trien-1-imine
CID 144047019
5-Methyl-1,1-dioxothieno[2,3-c]azepin-5-amine
CID 152807982
5-Ethyl-5-methylthieno[3,2-b]azepine 1,1-dioxide
CID 153093945

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylthieno[2,3-d]azepine 1,1-dioxide?
The IUPAC name of 5,5-dimethylthieno[2,3-d]azepine 1,1-dioxide (CID 143593377) is 5,5-dimethylthieno[2,3-d]azepine 1,1-dioxide.
What is the SMILES notation for 5,5-dimethylthieno[2,3-d]azepine 1,1-dioxide?
The canonical SMILES for 5,5-dimethylthieno[2,3-d]azepine 1,1-dioxide is CC1(C)C=C2C=CS(=O)(=O)C2=CC=N1.
What is the InChIKey of 5,5-dimethylthieno[2,3-d]azepine 1,1-dioxide?
The InChIKey is HCLPKAUMAPTRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-10(2)7-8-4-6-14(12,13)9(8)3-5-11-10/h3-7H,1-2H3.
What are the key properties of 5,5-dimethylthieno[2,3-d]azepine 1,1-dioxide?
5,5-dimethylthieno[2,3-d]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[2,3-d]azepine 1,1-dioxide is sourced from PubChem (CID 143593377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).