propyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate

C15H13NO2S — CID 15634372

IUPACpropyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate
SMILESCCCOC(=O)c1cc2c(cn1)sc1ccccc12
InChIInChI=1S/C15H13NO2S/c1-2-7-18-15(17)12-8-11-10-5-3-4-6-13(10)19-14(11)9-16-12/h3-6,8-9H,2,7H2,1H3
InChIKeyWBQIIFTZDCVWDP-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.02
Rot. Bonds3

About propyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate

propyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate (PubChem CID 15634372) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is propyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate
PubChem CID15634372
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Namepropyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate
SMILESCCCOC(=O)c1cc2c(cn1)sc1ccccc12
InChIInChI=1S/C15H13NO2S/c1-2-7-18-15(17)12-8-11-10-5-3-4-6-13(10)19-14(11)9-16-12/h3-6,8-9H,2,7H2,1H3
InChIKeyWBQIIFTZDCVWDP-UHFFFAOYSA-N
XLogP4.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate?
The IUPAC name of propyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate (CID 15634372) is propyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for propyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for propyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate is CCCOC(=O)c1cc2c(cn1)sc1ccccc12.
What is the InChIKey of propyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate?
The InChIKey is WBQIIFTZDCVWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-2-7-18-15(17)12-8-11-10-5-3-4-6-13(10)19-14(11)9-16-12/h3-6,8-9H,2,7H2,1H3.
What are the key properties of propyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate?
propyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 15634372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).