6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine

C12H15NS — CID 130434550

IUPAC6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine
SMILESCC1C=Cc2sc(C(C)C)cc2N=C1
InChIInChI=1S/C12H15NS/c1-8(2)12-6-10-11(14-12)5-4-9(3)7-13-10/h4-9H,1-3H3
InChIKeyUDHPTSRPSGPISM-UHFFFAOYSA-N
MW205.33 g/mol
LogP4.24
Rot. Bonds1

About 6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine

6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine (PubChem CID 130434550) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine
PubChem CID130434550
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine
SMILESCC1C=Cc2sc(C(C)C)cc2N=C1
InChIInChI=1S/C12H15NS/c1-8(2)12-6-10-11(14-12)5-4-9(3)7-13-10/h4-9H,1-3H3
InChIKeyUDHPTSRPSGPISM-UHFFFAOYSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine?
The IUPAC name of 6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine (CID 130434550) is 6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine.
What is the SMILES notation for 6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine?
The canonical SMILES for 6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine is CC1C=Cc2sc(C(C)C)cc2N=C1.
What is the InChIKey of 6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine?
The InChIKey is UDHPTSRPSGPISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-8(2)12-6-10-11(14-12)5-4-9(3)7-13-10/h4-9H,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine?
6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine has a molecular weight of 205.33 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-6H-thieno[3,2-b]azepine is sourced from PubChem (CID 130434550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).