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

C11H13NO2S — CID 102437819

IUPACmethyl 2-thiophen-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CCCC1c1ccsc1
InChIInChI=1S/C11H13NO2S/c1-14-11(13)12-6-3-2-4-10(12)9-5-7-15-8-9/h3,5-8,10H,2,4H2,1H3
InChIKeyUUIXYXRMBUGFBJ-UHFFFAOYSA-N
MW223.30 g/mol
LogP3.17
Rot. Bonds1

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

methyl 2-thiophen-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 102437819) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is methyl 2-thiophen-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-thiophen-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID102437819
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Namemethyl 2-thiophen-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CCCC1c1ccsc1
InChIInChI=1S/C11H13NO2S/c1-14-11(13)12-6-3-2-4-10(12)9-5-7-15-8-9/h3,5-8,10H,2,4H2,1H3
InChIKeyUUIXYXRMBUGFBJ-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

3-(Dimethylamino)-3-(thiophen-3-yl)propyl dimethylcarbamate
CID 44570102
tert-butyl (2S)-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 11064948
methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate
CID 16733729
tert-butyl (2R)-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 53469666
tert-butyl (2R)-4-methylidene-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 131228499
methyl 2-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 102437820
methyl 5-methyl-7H-thieno[2,3-c]pyridine-6-carboxylate
CID 67407323
methyl 7H-thieno[2,3-c]pyridine-6-carboxylate
CID 67410710
ethyl 7H-thieno[2,3-c]pyridine-6-carboxylate
CID 91358028
methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate
CID 126705828
tert-butyl N-(3-cyano-1-thiophen-3-ylpropyl)-N-methylcarbamate
CID 135134830
2-Thiophen-3-ylpiperidine-1-carboxylic acid
CID 175312719

Frequently Asked Questions

What is the IUPAC name of methyl 2-thiophen-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 2-thiophen-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 102437819) is methyl 2-thiophen-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 2-thiophen-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 2-thiophen-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1C=CCCC1c1ccsc1.
What is the InChIKey of methyl 2-thiophen-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is UUIXYXRMBUGFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-14-11(13)12-6-3-2-4-10(12)9-5-7-15-8-9/h3,5-8,10H,2,4H2,1H3.
What are the key properties of methyl 2-thiophen-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
methyl 2-thiophen-3-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-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 102437819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).