propan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate

C14H17NO3S — CID 127033951

IUPACpropan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2cccs2)CC(=O)N1
InChIInChI=1S/C14H17NO3S/c1-8(2)18-14(17)13-9(3)15-12(16)7-10(13)11-5-4-6-19-11/h4-6,8,10H,7H2,1-3H3,(H,15,16)
InChIKeyIGVHNADHCSBLEY-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.58
Rot. Bonds3

About propan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate

propan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 127033951) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is propan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID127033951
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Namepropan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2cccs2)CC(=O)N1
InChIInChI=1S/C14H17NO3S/c1-8(2)18-14(17)13-9(3)15-12(16)7-10(13)11-5-4-6-19-11/h4-6,8,10H,7H2,1-3H3,(H,15,16)
InChIKeyIGVHNADHCSBLEY-UHFFFAOYSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of propan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate (CID 127033951) is propan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for propan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for propan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate is CC1=C(C(=O)OC(C)C)C(c2cccs2)CC(=O)N1.
What is the InChIKey of propan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is IGVHNADHCSBLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-8(2)18-14(17)13-9(3)15-12(16)7-10(13)11-5-4-6-19-11/h4-6,8,10H,7H2,1-3H3,(H,15,16).
What are the key properties of propan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate?
propan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 279.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 127033951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).