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

C8H11NS — CID 67100455

IUPAC2-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine
SMILESCC1CC2CN=CC=C2S1
InChIInChI=1S/C8H11NS/c1-6-4-7-5-9-3-2-8(7)10-6/h2-3,6-7H,4-5H2,1H3
InChIKeyCUXLNAUGNMKLCK-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.10
Rot. Bonds

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

2-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine (PubChem CID 67100455) 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-c]pyridine.

Molecular Properties

Compound Name2-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine
PubChem CID67100455
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine
SMILESCC1CC2CN=CC=C2S1
InChIInChI=1S/C8H11NS/c1-6-4-7-5-9-3-2-8(7)10-6/h2-3,6-7H,4-5H2,1H3
InChIKeyCUXLNAUGNMKLCK-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydrothieno[3,2-c]pyridine
CID 68615670
4-Propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine
CID 58332186
1,3,3a,4-Tetrahydrothieno[3,4-c]pyridine
CID 68616199
3,3a,4,5-tetrahydro-2H-thieno[2,3-d]azepine
CID 69958429
Tetrahydrothieno[3,2-c]pyridine hydrochloride
CID 118898647
3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-c]pyridine
CID 141468709
(2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine
CID 144594778
3-Methyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine
CID 145826589
2,3,3a,7a-Tetrahydrothieno[2,3-b]pyridine
CID 164173940
(3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine
CID 167221524

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine (CID 67100455) is 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine is CC1CC2CN=CC=C2S1.
What is the InChIKey of 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is CUXLNAUGNMKLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6-4-7-5-9-3-2-8(7)10-6/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine?
2-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 153.25 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 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-c]pyridine is sourced from PubChem (CID 67100455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).