methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate

C9H11NO2S — CID 124584496

IUPACmethyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
SMILESCOC(=O)[C@H]1NCCc2ccsc21
InChIInChI=1S/C9H11NO2S/c1-12-9(11)7-8-6(2-4-10-7)3-5-13-8/h3,5,7,10H,2,4H2,1H3/t7-/m0/s1
InChIKeyWULBCYZJRKVHNG-ZETCQYMHSA-N
MW197.26 g/mol
LogP1.11
Rot. Bonds1

About methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate

methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate (PubChem CID 124584496) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
PubChem CID124584496
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Namemethyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
SMILESCOC(=O)[C@H]1NCCc2ccsc21
InChIInChI=1S/C9H11NO2S/c1-12-9(11)7-8-6(2-4-10-7)3-5-13-8/h3,5,7,10H,2,4H2,1H3/t7-/m0/s1
InChIKeyWULBCYZJRKVHNG-ZETCQYMHSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
CID 157046318
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
methyl (1S)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 139840356
2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl)acetic acid
CID 82398858
methyl 8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 105477375
(7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 129391976
(3-methoxy-3-methylbutyl) 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate
CID 106666175
methyl 5-chloro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 82579793
N,N-dimethyl-1-[(7S)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl]methanamine
CID 124604286
7-(2-fluoro-4,5-dimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 19959701
(3,5-dimethylcyclohexyl) 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate
CID 64733209
(7S)-4,5,6,7-tetrahydro-1-benzothiophene-7-carbaldehyde
CID 101484628

Frequently Asked Questions

What is the IUPAC name of methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate (CID 124584496) is methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate is COC(=O)[C@H]1NCCc2ccsc21.
What is the InChIKey of methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate?
The InChIKey is WULBCYZJRKVHNG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-12-9(11)7-8-6(2-4-10-7)3-5-13-8/h3,5,7,10H,2,4H2,1H3/t7-/m0/s1.
What are the key properties of methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate?
methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate has a molecular weight of 197.26 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 124584496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).