3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine

C11H15NS — CID 143533183

IUPAC3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine
SMILESCC1(C)C=CC2=C(CCSC2)N=C1
InChIInChI=1S/C11H15NS/c1-11(2)5-3-9-7-13-6-4-10(9)12-8-11/h3,5,8H,4,6-7H2,1-2H3
InChIKeyFRCKVOBISJQJLK-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.04
Rot. Bonds

About 3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine

3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine (PubChem CID 143533183) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine.

Molecular Properties

Compound Name3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine
PubChem CID143533183
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine
SMILESCC1(C)C=CC2=C(CCSC2)N=C1
InChIInChI=1S/C11H15NS/c1-11(2)5-3-9-7-13-6-4-10(9)12-8-11/h3,5,8H,4,6-7H2,1-2H3
InChIKeyFRCKVOBISJQJLK-UHFFFAOYSA-N
XLogP3.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-Dimethylthieno[2,3-c]azepine
CID 143248532
5-Ethenyl-3,3-dimethyl-6-methylsulfanylazepine
CID 143288910
Ethane;7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine
CID 143533132
N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine
CID 143533258
5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine
CID 143987850
N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine
CID 145188480
7-Methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine
CID 143533133

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine?
The IUPAC name of 3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine (CID 143533183) is 3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine.
What is the SMILES notation for 3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine?
The canonical SMILES for 3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine is CC1(C)C=CC2=C(CCSC2)N=C1.
What is the InChIKey of 3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine?
The InChIKey is FRCKVOBISJQJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-11(2)5-3-9-7-13-6-4-10(9)12-8-11/h3,5,8H,4,6-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine?
3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine has a molecular weight of 193.31 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine is sourced from PubChem (CID 143533183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).