4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine

C8H11NS — CID 67100453

IUPAC4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine
SMILESCC1N=CCC2SC=CC12
InChIInChI=1S/C8H11NS/c1-6-7-3-5-10-8(7)2-4-9-6/h3-8H,2H2,1H3
InChIKeyGTFWOLVOKZVCDM-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.09
Rot. Bonds

About 4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine

4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine (PubChem CID 67100453) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine
PubChem CID67100453
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine
SMILESCC1N=CCC2SC=CC12
InChIInChI=1S/C8H11NS/c1-6-7-3-5-10-8(7)2-4-9-6/h3-8H,2H2,1H3
InChIKeyGTFWOLVOKZVCDM-UHFFFAOYSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3a,4,7,7a-Tetrahydrothieno[2,3-c]pyridine
CID 20194044
3a,4,7,7a-Tetrahydrothieno[3,2-c]pyridine
CID 21666240
3a,4,5,7a-Tetrahydrothieno[2,3-c]pyridine
CID 53918127
3a,6,7,7a-Tetrahydrothieno[3,2-c]pyridine
CID 57291918
3a,4,5,7a-Tetrahydrothieno[2,3-b]pyridine
CID 91484382
3a,4,7,7a-Tetrahydrothieno[3,2-c]pyridine;hydrochloride
CID 118898646
5-methylsulfanyl-3,3a,4,5-tetrahydro-2H-indole
CID 123767400
7-Methyl-2-pentan-3-yl-3a,4,7,7a-tetrahydro-1,3-benzothiazole
CID 166963477

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine (CID 67100453) is 4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine is CC1N=CCC2SC=CC12.
What is the InChIKey of 4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is GTFWOLVOKZVCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6-7-3-5-10-8(7)2-4-9-6/h3-8H,2H2,1H3.
What are the key properties of 4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine?
4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 153.25 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 67100453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).