tert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C15H21NO2S — CID 58293799

IUPACtert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1sccc1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H21NO2S/c1-11-13(7-10-19-11)12-5-8-16(9-6-12)14(17)18-15(2,3)4/h5,7,10H,6,8-9H2,1-4H3
InChIKeyGAWYMMMUPMOHST-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.08
Rot. Bonds1

About tert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 58293799) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is tert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID58293799
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Nametert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1sccc1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H21NO2S/c1-11-13(7-10-19-11)12-5-8-16(9-6-12)14(17)18-15(2,3)4/h5,7,10H,6,8-9H2,1-4H3
InChIKeyGAWYMMMUPMOHST-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 58293799) is tert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1sccc1C1=CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is GAWYMMMUPMOHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-13(7-10-19-11)12-5-8-16(9-6-12)14(17)18-15(2,3)4/h5,7,10H,6,8-9H2,1-4H3.
What are the key properties of tert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 279.40 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 58293799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).