tert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

C13H19NO2S — CID 59663083

IUPACtert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESC[C@@H]1c2ccsc2CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO2S/c1-9-10-6-8-17-11(10)5-7-14(9)12(15)16-13(2,3)4/h6,8-9H,5,7H2,1-4H3/t9-/m1/s1
InChIKeyGQRGOPGWBYRZPB-SECBINFHSA-N
MW253.37 g/mol
LogP3.60
Rot. Bonds

About tert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

tert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (PubChem CID 59663083) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is tert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
PubChem CID59663083
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Nametert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESC[C@@H]1c2ccsc2CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO2S/c1-9-10-6-8-17-11(10)5-7-14(9)12(15)16-13(2,3)4/h6,8-9H,5,7H2,1-4H3/t9-/m1/s1
InChIKeyGQRGOPGWBYRZPB-SECBINFHSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (CID 59663083) is tert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is C[C@@H]1c2ccsc2CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The InChIKey is GQRGOPGWBYRZPB-SECBINFHSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-10-6-8-17-11(10)5-7-14(9)12(15)16-13(2,3)4/h6,8-9H,5,7H2,1-4H3/t9-/m1/s1.
What are the key properties of tert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
tert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate has a molecular weight of 253.37 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 59663083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).