2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine

C10H15NS — CID 89116472

IUPAC2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
SMILESCc1sc2c(c1C)CCNCC2
InChIInChI=1S/C10H15NS/c1-7-8(2)12-10-4-6-11-5-3-9(7)10/h11H,3-6H2,1-2H3
InChIKeyGGXULKGYSKZBFZ-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.05
Rot. Bonds

About 2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine

2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine (PubChem CID 89116472) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine.

Molecular Properties

Compound Name2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
PubChem CID89116472
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
SMILESCc1sc2c(c1C)CCNCC2
InChIInChI=1S/C10H15NS/c1-7-8(2)12-10-4-6-11-5-3-9(7)10/h11H,3-6H2,1-2H3
InChIKeyGGXULKGYSKZBFZ-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The IUPAC name of 2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine (CID 89116472) is 2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine.
What is the SMILES notation for 2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The canonical SMILES for 2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine is Cc1sc2c(c1C)CCNCC2.
What is the InChIKey of 2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The InChIKey is GGXULKGYSKZBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-7-8(2)12-10-4-6-11-5-3-9(7)10/h11H,3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine has a molecular weight of 181.30 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine is sourced from PubChem (CID 89116472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).