ethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate

C15H17NO3S — CID 66592540

IUPACethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2c(sc3c(OC)cccc23)C1
InChIInChI=1S/C15H17NO3S/c1-3-19-15(17)16-8-7-10-11-5-4-6-12(18-2)14(11)20-13(10)9-16/h4-6H,3,7-9H2,1-2H3
InChIKeyIDEWKXNUUFCNKC-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.42
Rot. Bonds2

About ethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate

ethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate (PubChem CID 66592540) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is ethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate
PubChem CID66592540
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Nameethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2c(sc3c(OC)cccc23)C1
InChIInChI=1S/C15H17NO3S/c1-3-19-15(17)16-8-7-10-11-5-4-6-12(18-2)14(11)20-13(10)9-16/h4-6H,3,7-9H2,1-2H3
InChIKeyIDEWKXNUUFCNKC-UHFFFAOYSA-N
XLogP3.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-cyano-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 4062915
ethyl 3-carbamoyl-2-[[2-(2-methoxyphenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993492
2-O-ethyl 5-O-(4-nitrophenyl) 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2,5-dicarboxylate
CID 11547025
ethyl 5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate
CID 58001400
ethyl 3-amino-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 89070183
ethyl 2-[(Z)-(3-carbamothioyl-8-methoxychromen-2-ylidene)amino]-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 46899880
ethyl 5-(2-imino-8-methoxychromen-3-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-11-carboxylate
CID 46899698
ethyl 3-oxo-5-[2-(3,4,5-trimethoxybenzoyl)oxyphenyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate
CID 4662806
ethyl 6-(aminomethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83956458
ethyl 3-carbamoyl-2-[[2-(3-methoxyphenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993493
6-O-ethyl 3-O-methyl 2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 16811092
6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 90394098

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate (CID 66592540) is ethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate is CCOC(=O)N1CCc2c(sc3c(OC)cccc23)C1.
What is the InChIKey of ethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is IDEWKXNUUFCNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-19-15(17)16-8-7-10-11-5-4-6-12(18-2)14(11)20-13(10)9-16/h4-6H,3,7-9H2,1-2H3.
What are the key properties of ethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate?
ethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 291.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 66592540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).