2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine

C8H11NS — CID 67100810

IUPAC2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine
SMILESCC1CC2NC=CC=C2S1
InChIInChI=1S/C8H11NS/c1-6-5-7-8(10-6)3-2-4-9-7/h2-4,6-7,9H,5H2,1H3
InChIKeyKLGHTOSQZRXIMV-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.88
Rot. Bonds

About 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine

2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine (PubChem CID 67100810) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine
PubChem CID67100810
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine
SMILESCC1CC2NC=CC=C2S1
InChIInChI=1S/C8H11NS/c1-6-5-7-8(10-6)3-2-4-9-7/h2-4,6-7,9H,5H2,1H3
InChIKeyKLGHTOSQZRXIMV-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine?
The IUPAC name of 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine (CID 67100810) is 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine.
What is the SMILES notation for 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine?
The canonical SMILES for 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine is CC1CC2NC=CC=C2S1.
What is the InChIKey of 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine?
The InChIKey is KLGHTOSQZRXIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6-5-7-8(10-6)3-2-4-9-7/h2-4,6-7,9H,5H2,1H3.
What are the key properties of 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine?
2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine has a molecular weight of 153.25 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine is sourced from PubChem (CID 67100810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).