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

C8H9NS — CID 123313642

IUPAC3-methyl-3a,4-dihydrothieno[2,3-c]pyridine
SMILESCC1=CSC2=CN=CCC12
InChIInChI=1S/C8H9NS/c1-6-5-10-8-4-9-3-2-7(6)8/h3-5,7H,2H2,1H3
InChIKeyFDDHRWXRYWHPCX-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.57
Rot. Bonds

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

3-methyl-3a,4-dihydrothieno[2,3-c]pyridine (PubChem CID 123313642) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 3-methyl-3a,4-dihydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name3-methyl-3a,4-dihydrothieno[2,3-c]pyridine
PubChem CID123313642
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name3-methyl-3a,4-dihydrothieno[2,3-c]pyridine
SMILESCC1=CSC2=CN=CCC12
InChIInChI=1S/C8H9NS/c1-6-5-10-8-4-9-3-2-7(6)8/h3-5,7H,2H2,1H3
InChIKeyFDDHRWXRYWHPCX-UHFFFAOYSA-N
XLogP2.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydrothieno[2,3-c]pyridine
CID 66662834
4-(2-Methylsulfanylethyl)-3,4-dihydropyridine
CID 143082108
4-(2-Ethylsulfanylethyl)-3,4-dihydropyridine
CID 143418346
2,3,3a,4-Tetrahydrothieno[2,3-c]pyridine;hydrochloride
CID 157064317
1,1,1,1,2,2,3,3,3a-nonadeuterio-4H-thieno[2,3-c]pyridine
CID 175778097
2-methyl-6-pentan-3-yl-2H-1,4-thiazine
CID 145694186

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3a,4-dihydrothieno[2,3-c]pyridine?
The IUPAC name of 3-methyl-3a,4-dihydrothieno[2,3-c]pyridine (CID 123313642) is 3-methyl-3a,4-dihydrothieno[2,3-c]pyridine.
What is the SMILES notation for 3-methyl-3a,4-dihydrothieno[2,3-c]pyridine?
The canonical SMILES for 3-methyl-3a,4-dihydrothieno[2,3-c]pyridine is CC1=CSC2=CN=CCC12.
What is the InChIKey of 3-methyl-3a,4-dihydrothieno[2,3-c]pyridine?
The InChIKey is FDDHRWXRYWHPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-6-5-10-8-4-9-3-2-7(6)8/h3-5,7H,2H2,1H3.
What are the key properties of 3-methyl-3a,4-dihydrothieno[2,3-c]pyridine?
3-methyl-3a,4-dihydrothieno[2,3-c]pyridine has a molecular weight of 151.23 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3a,4-dihydrothieno[2,3-c]pyridine is sourced from PubChem (CID 123313642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).