5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one

C8H11NOS — CID 142135632

IUPAC5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one
SMILESCN1CC2CCSC2=CC1=O
InChIInChI=1S/C8H11NOS/c1-9-5-6-2-3-11-7(6)4-8(9)10/h4,6H,2-3,5H2,1H3
InChIKeyHMQJOLGAMUHHEZ-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.10
Rot. Bonds

About 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one

5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one (PubChem CID 142135632) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one.

Molecular Properties

Compound Name5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one
PubChem CID142135632
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one
SMILESCN1CC2CCSC2=CC1=O
InChIInChI=1S/C8H11NOS/c1-9-5-6-2-3-11-7(6)4-8(9)10/h4,6H,2-3,5H2,1H3
InChIKeyHMQJOLGAMUHHEZ-UHFFFAOYSA-N
XLogP1.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one?
The IUPAC name of 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one (CID 142135632) is 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one.
What is the SMILES notation for 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one?
The canonical SMILES for 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one is CN1CC2CCSC2=CC1=O.
What is the InChIKey of 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one?
The InChIKey is HMQJOLGAMUHHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-9-5-6-2-3-11-7(6)4-8(9)10/h4,6H,2-3,5H2,1H3.
What are the key properties of 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one?
5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one has a molecular weight of 169.25 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridin-6-one is sourced from PubChem (CID 142135632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).