2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine

C12H17NS — CID 154964078

IUPAC2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine
SMILESCC1N=CC=C2C=C(C(C)(C)C)SC21
InChIInChI=1S/C12H17NS/c1-8-11-9(5-6-13-8)7-10(14-11)12(2,3)4/h5-8,11H,1-4H3
InChIKeyXEDPFOFAMRMWHA-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.43
Rot. Bonds

About 2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine

2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine (PubChem CID 154964078) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine
PubChem CID154964078
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine
SMILESCC1N=CC=C2C=C(C(C)(C)C)SC21
InChIInChI=1S/C12H17NS/c1-8-11-9(5-6-13-8)7-10(14-11)12(2,3)4/h5-8,11H,1-4H3
InChIKeyXEDPFOFAMRMWHA-UHFFFAOYSA-N
XLogP3.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine?
The IUPAC name of 2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine (CID 154964078) is 2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine.
What is the SMILES notation for 2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine?
The canonical SMILES for 2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine is CC1N=CC=C2C=C(C(C)(C)C)SC21.
What is the InChIKey of 2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine?
The InChIKey is XEDPFOFAMRMWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-8-11-9(5-6-13-8)7-10(14-11)12(2,3)4/h5-8,11H,1-4H3.
What are the key properties of 2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine?
2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine has a molecular weight of 207.34 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-methyl-7,7a-dihydrothieno[2,3-c]pyridine is sourced from PubChem (CID 154964078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).