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

C12H15NO2S — CID 23160544

IUPACethyl 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CC=C(c2cccs2)CC1
InChIInChI=1S/C12H15NO2S/c1-2-15-12(14)13-7-5-10(6-8-13)11-4-3-9-16-11/h3-5,9H,2,6-8H2,1H3
InChIKeyPRBNRQLCENAFGC-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.99
Rot. Bonds2

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

ethyl 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 23160544) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is ethyl 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID23160544
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Nameethyl 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CC=C(c2cccs2)CC1
InChIInChI=1S/C12H15NO2S/c1-2-15-12(14)13-7-5-10(6-8-13)11-4-3-9-16-11/h3-5,9H,2,6-8H2,1H3
InChIKeyPRBNRQLCENAFGC-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(2-thienylmethyl)-1-piperazinecarboxylate
CID 783744
1-Methyl-4-(2-thienyl)-1,2,3,6-tetrahydropyridine
CID 133448
Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
CID 3065860
Ethyl 7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 90632758
Methyl 7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
CID 155511200
Ethyl 1-oxo-7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
CID 155549741
ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 100042081
methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 145714287
Ethyl4-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxylate
CID 6456281
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate
CID 135067513

Frequently Asked Questions

What is the IUPAC name of ethyl 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 23160544) is ethyl 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate is CCOC(=O)N1CC=C(c2cccs2)CC1.
What is the InChIKey of ethyl 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PRBNRQLCENAFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-2-15-12(14)13-7-5-10(6-8-13)11-4-3-9-16-11/h3-5,9H,2,6-8H2,1H3.
What are the key properties of ethyl 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
ethyl 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 237.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 23160544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).