tert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

C14H21NO2S — CID 58408756

IUPACtert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCCc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H21NO2S/c1-5-11-8-10-9-15(7-6-12(10)18-11)13(16)17-14(2,3)4/h8H,5-7,9H2,1-4H3
InChIKeyOHASFXAQOPCLDQ-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.60
Rot. Bonds1

About tert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

tert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (PubChem CID 58408756) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is tert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
PubChem CID58408756
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nametert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCCc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H21NO2S/c1-5-11-8-10-9-15(7-6-12(10)18-11)13(16)17-14(2,3)4/h8H,5-7,9H2,1-4H3
InChIKeyOHASFXAQOPCLDQ-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
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 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (CID 58408756) is tert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is CCc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The InChIKey is OHASFXAQOPCLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-5-11-8-10-9-15(7-6-12(10)18-11)13(16)17-14(2,3)4/h8H,5-7,9H2,1-4H3.
What are the key properties of tert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
tert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 58408756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).