methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate

C13H19NO2S — CID 54939954

IUPACmethyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate
SMILESCOC(=O)C(C)CN1CCc2sccc2C1C
InChIInChI=1S/C13H19NO2S/c1-9(13(15)16-3)8-14-6-4-12-11(10(14)2)5-7-17-12/h5,7,9-10H,4,6,8H2,1-3H3
InChIKeyUGIGEDOCVYIGPA-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.48
Rot. Bonds3

About methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate

methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate (PubChem CID 54939954) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate
PubChem CID54939954
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate
SMILESCOC(=O)C(C)CN1CCc2sccc2C1C
InChIInChI=1S/C13H19NO2S/c1-9(13(15)16-3)8-14-6-4-12-11(10(14)2)5-7-17-12/h5,7,9-10H,4,6,8H2,1-3H3
InChIKeyUGIGEDOCVYIGPA-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate?
The IUPAC name of methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate (CID 54939954) is methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate?
The canonical SMILES for methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate is COC(=O)C(C)CN1CCc2sccc2C1C.
What is the InChIKey of methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate?
The InChIKey is UGIGEDOCVYIGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9(13(15)16-3)8-14-6-4-12-11(10(14)2)5-7-17-12/h5,7,9-10H,4,6,8H2,1-3H3.
What are the key properties of methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate?
methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate has a molecular weight of 253.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate is sourced from PubChem (CID 54939954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).