tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate

C14H19NO2S — CID 10706828

IUPACtert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC=C1c1cccs1
InChIInChI=1S/C14H19NO2S/c1-14(2,3)17-13(16)15-9-5-4-7-11(15)12-8-6-10-18-12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyOVJBJLHZLBYDAO-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.12
Rot. Bonds1

About tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 10706828) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID10706828
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Nametert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC=C1c1cccs1
InChIInChI=1S/C14H19NO2S/c1-14(2,3)17-13(16)15-9-5-4-7-11(15)12-8-6-10-18-12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyOVJBJLHZLBYDAO-UHFFFAOYSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 10706828) is tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC=C1c1cccs1.
What is the InChIKey of tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is OVJBJLHZLBYDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-14(2,3)17-13(16)15-9-5-4-7-11(15)12-8-6-10-18-12/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 265.38 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10706828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).