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

C10H11NS — CID 70311060

IUPAC5,5-dimethylthieno[2,3-d]azepine
SMILESCC1(C)C=c2ccsc2=CC=N1
InChIInChI=1S/C10H11NS/c1-10(2)7-8-4-6-12-9(8)3-5-11-10/h3-7H,1-2H3
InChIKeyGOFGFOQIOXEJQO-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.17
Rot. Bonds

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

5,5-dimethylthieno[2,3-d]azepine (PubChem CID 70311060) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 5,5-dimethylthieno[2,3-d]azepine.

Molecular Properties

Compound Name5,5-dimethylthieno[2,3-d]azepine
PubChem CID70311060
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name5,5-dimethylthieno[2,3-d]azepine
SMILESCC1(C)C=c2ccsc2=CC=N1
InChIInChI=1S/C10H11NS/c1-10(2)7-8-4-6-12-9(8)3-5-11-10/h3-7H,1-2H3
InChIKeyGOFGFOQIOXEJQO-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-thieno[2,3-c]azepine
CID 66621567
5,5-Dimethylthieno[3,2-b]azepine
CID 70310908
6-Thia-11-azatricyclo[8.4.0.03,7]tetradeca-1,3,7,9,11,13-hexaene
CID 87987409
2H-thieno[3,2-i][1]benzazepine
CID 121416106
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
3,4-dihydro-2H-thieno[3,2-c]azepine
CID 137397439
(2Z)-N-methyl-2-(2-methylidenethiophen-3-ylidene)ethanimine
CID 139297349
3-Thia-14-azatricyclo[8.4.0.02,6]tetradeca-1,5,7,9,11,13-hexaene
CID 140563927
ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole
CID 143157875
ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole
CID 143157915
5,5-Dimethylthieno[2,3-d]azepine 1,1-dioxide
CID 143593377
6H-thiepino[2,3-c]pyrrole
CID 152520438

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylthieno[2,3-d]azepine?
The IUPAC name of 5,5-dimethylthieno[2,3-d]azepine (CID 70311060) is 5,5-dimethylthieno[2,3-d]azepine.
What is the SMILES notation for 5,5-dimethylthieno[2,3-d]azepine?
The canonical SMILES for 5,5-dimethylthieno[2,3-d]azepine is CC1(C)C=c2ccsc2=CC=N1.
What is the InChIKey of 5,5-dimethylthieno[2,3-d]azepine?
The InChIKey is GOFGFOQIOXEJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-10(2)7-8-4-6-12-9(8)3-5-11-10/h3-7H,1-2H3.
What are the key properties of 5,5-dimethylthieno[2,3-d]azepine?
5,5-dimethylthieno[2,3-d]azepine has a molecular weight of 177.27 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylthieno[2,3-d]azepine is sourced from PubChem (CID 70311060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).