benzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C16H17NO2S — CID 70116537

IUPACbenzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCC1c2sccc2CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2S/c1-12-15-14(8-10-20-15)7-9-17(12)16(18)19-11-13-5-3-2-4-6-13/h2-6,8,10,12H,7,9,11H2,1H3
InChIKeyQPDPGZVJJJCWNX-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.00
Rot. Bonds2

About benzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

benzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 70116537) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is benzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namebenzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID70116537
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Namebenzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCC1c2sccc2CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2S/c1-12-15-14(8-10-20-15)7-9-17(12)16(18)19-11-13-5-3-2-4-6-13/h2-6,8,10,12H,7,9,11H2,1H3
InChIKeyQPDPGZVJJJCWNX-UHFFFAOYSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 25167087
1'-Benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 70676937
1'-(p-Tolylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 134816984
Benzyl 9-(thiophen-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 134806872
5-[(benzyloxy)carbonyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 61802872
benzyl (2R,3S)-4-methylene-2-(thiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 145453127
benzyl 5-butyl-3-thiophen-2-yl-3H-1,2-oxazole-2-carboxylate
CID 44254999
benzyl N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]carbamate
CID 94812999
Tert-butyl 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine-1-carboxylate
CID 19379397
tert-butyl (2S,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine-1-carboxylate
CID 54250446
(6S)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-thiophen-2-yl-1,3-oxazinan-2-one
CID 58109213
(6R)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-thiophen-2-yl-1,3-oxazinan-2-one
CID 58109436

Frequently Asked Questions

What is the IUPAC name of benzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of benzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 70116537) is benzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for benzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for benzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CC1c2sccc2CCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is QPDPGZVJJJCWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12-15-14(8-10-20-15)7-9-17(12)16(18)19-11-13-5-3-2-4-6-13/h2-6,8,10,12H,7,9,11H2,1H3.
What are the key properties of benzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
benzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 287.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 70116537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).