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

C11H13NO2S — CID 102437820

IUPACmethyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CCCC1c1cccs1
InChIInChI=1S/C11H13NO2S/c1-14-11(13)12-7-3-2-5-9(12)10-6-4-8-15-10/h3-4,6-9H,2,5H2,1H3
InChIKeyCWVRYJWCZWTQLW-UHFFFAOYSA-N
MW223.30 g/mol
LogP3.17
Rot. Bonds1

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

methyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 102437820) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is methyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID102437820
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Namemethyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CCCC1c1cccs1
InChIInChI=1S/C11H13NO2S/c1-14-11(13)12-7-3-2-5-9(12)10-6-4-8-15-10/h3-4,6-9H,2,5H2,1H3
InChIKeyCWVRYJWCZWTQLW-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 60698565
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10706828
methyl N-butyl-N-[[5-[[cyclohexyl(methoxycarbonyl)amino]methyl]thiophen-2-yl]methyl]carbamate
CID 11463616
Tert-butyl 7-thiophen-2-yl-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 11818317
tert-butyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 101957249
1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one
CID 102503081
ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate
CID 135067513
2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 60705708
2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate
CID 61066824
2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate
CID 61481391
2,2,2-Trifluoroethyl 2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 65173581

Frequently Asked Questions

What is the IUPAC name of methyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 102437820) is methyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1C=CCCC1c1cccs1.
What is the InChIKey of methyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is CWVRYJWCZWTQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-14-11(13)12-7-3-2-5-9(12)10-6-4-8-15-10/h3-4,6-9H,2,5H2,1H3.
What are the key properties of methyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
methyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 223.30 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 102437820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).