5,5-dimethylthieno[2,3-c]azepine;ethane

C12H17NS — CID 143335457

IUPAC5,5-dimethylthieno[2,3-c]azepine;ethane
SMILESCC.CC1(C)C=NC=c2sccc2=C1
InChIInChI=1S/C10H11NS.C2H6/c1-10(2)5-8-3-4-12-9(8)6-11-7-10;1-2/h3-7H,1-2H3;1-2H3
InChIKeyDKRFXESVBHDIOJ-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.40
Rot. Bonds

About 5,5-dimethylthieno[2,3-c]azepine;ethane

5,5-dimethylthieno[2,3-c]azepine;ethane (PubChem CID 143335457) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 5,5-dimethylthieno[2,3-c]azepine;ethane.

Molecular Properties

Compound Name5,5-dimethylthieno[2,3-c]azepine;ethane
PubChem CID143335457
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name5,5-dimethylthieno[2,3-c]azepine;ethane
SMILESCC.CC1(C)C=NC=c2sccc2=C1
InChIInChI=1S/C10H11NS.C2H6/c1-10(2)5-8-3-4-12-9(8)6-11-7-10;1-2/h3-7H,1-2H3;1-2H3
InChIKeyDKRFXESVBHDIOJ-UHFFFAOYSA-N
XLogP2.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,8-dihydro-1H-thieno[3,4-d]azepine
CID 57099393
2H-thieno[2,3-c]azepine
CID 66621567
2H-thieno[3,2-c]azepine
CID 70463907
5H-thieno[2,3-c]azepine
CID 90974805
6-Ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138722119
6-Propan-2-yl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138722175
ethane;(Z)-N-(6-propyl-2,3-dihydrothiepin-7-yl)propan-1-imine
CID 141789675
3-Ethylsulfanyl-3-methylazepine
CID 142497794
6-(1-ethenylsulfanylethenyl)-4H-azepine
CID 143076341
5,5-Dimethylthieno[2,3-c]azepine
CID 143248532
5,5-Dimethylthieno[2,3-c]azepine 1,1-dioxide
CID 143253572
5-Ethenyl-3,3-dimethyl-6-methylsulfanylazepine
CID 143288910

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylthieno[2,3-c]azepine;ethane?
The IUPAC name of 5,5-dimethylthieno[2,3-c]azepine;ethane (CID 143335457) is 5,5-dimethylthieno[2,3-c]azepine;ethane.
What is the SMILES notation for 5,5-dimethylthieno[2,3-c]azepine;ethane?
The canonical SMILES for 5,5-dimethylthieno[2,3-c]azepine;ethane is CC.CC1(C)C=NC=c2sccc2=C1.
What is the InChIKey of 5,5-dimethylthieno[2,3-c]azepine;ethane?
The InChIKey is DKRFXESVBHDIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS.C2H6/c1-10(2)5-8-3-4-12-9(8)6-11-7-10;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of 5,5-dimethylthieno[2,3-c]azepine;ethane?
5,5-dimethylthieno[2,3-c]azepine;ethane has a molecular weight of 207.34 g/mol, XLogP of 2.40, 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-c]azepine;ethane is sourced from PubChem (CID 143335457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).