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

C10H11NO2S — CID 143253572

IUPAC5,5-dimethylthieno[2,3-c]azepine 1,1-dioxide
SMILESCC1(C)C=NC=C2C(=C1)C=CS2(=O)=O
InChIInChI=1S/C10H11NO2S/c1-10(2)5-8-3-4-14(12,13)9(8)6-11-7-10/h3-7H,1-2H3
InChIKeyVKTPOXKPWSMCRN-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.81
Rot. Bonds

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

5,5-dimethylthieno[2,3-c]azepine 1,1-dioxide (PubChem CID 143253572) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 5,5-dimethylthieno[2,3-c]azepine 1,1-dioxide.

Molecular Properties

Compound Name5,5-dimethylthieno[2,3-c]azepine 1,1-dioxide
PubChem CID143253572
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name5,5-dimethylthieno[2,3-c]azepine 1,1-dioxide
SMILESCC1(C)C=NC=C2C(=C1)C=CS2(=O)=O
InChIInChI=1S/C10H11NO2S/c1-10(2)5-8-3-4-14(12,13)9(8)6-11-7-10/h3-7H,1-2H3
InChIKeyVKTPOXKPWSMCRN-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-propylsulfonyl-4H-2-benzazepine
CID 143111794
5,5-Dimethylthieno[2,3-c]azepine
CID 143248532
5,5-Dimethylthieno[2,3-c]azepine;ethane
CID 143335457
5,5-Dimethylthieno[2,3-d]azepine 1,1-dioxide
CID 143593377
3,3-Dimethyl-6-methylsulfonylazepine
CID 144047773
5-Methyl-1,1-dioxothieno[2,3-c]azepin-5-amine
CID 152807982

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylthieno[2,3-c]azepine 1,1-dioxide?
The IUPAC name of 5,5-dimethylthieno[2,3-c]azepine 1,1-dioxide (CID 143253572) is 5,5-dimethylthieno[2,3-c]azepine 1,1-dioxide.
What is the SMILES notation for 5,5-dimethylthieno[2,3-c]azepine 1,1-dioxide?
The canonical SMILES for 5,5-dimethylthieno[2,3-c]azepine 1,1-dioxide is CC1(C)C=NC=C2C(=C1)C=CS2(=O)=O.
What is the InChIKey of 5,5-dimethylthieno[2,3-c]azepine 1,1-dioxide?
The InChIKey is VKTPOXKPWSMCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-10(2)5-8-3-4-14(12,13)9(8)6-11-7-10/h3-7H,1-2H3.
What are the key properties of 5,5-dimethylthieno[2,3-c]azepine 1,1-dioxide?
5,5-dimethylthieno[2,3-c]azepine 1,1-dioxide has a molecular weight of 209.27 g/mol, XLogP of 1.81, 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-c]azepine 1,1-dioxide is sourced from PubChem (CID 143253572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).