[1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone

C16H14N2O2S — CID 15634391

IUPAC[1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone
SMILESO=C(c1cc2c(cn1)sc1ccccc12)N1CCOCC1
InChIInChI=1S/C16H14N2O2S/c19-16(18-5-7-20-8-6-18)13-9-12-11-3-1-2-4-14(11)21-15(12)10-17-13/h1-4,9-10H,5-8H2
InChIKeyFGHBVZQFENUTPG-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.92
Rot. Bonds1

About [1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone

[1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone (PubChem CID 15634391) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is [1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Name[1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone
PubChem CID15634391
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name[1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone
SMILESO=C(c1cc2c(cn1)sc1ccccc12)N1CCOCC1
InChIInChI=1S/C16H14N2O2S/c19-16(18-5-7-20-8-6-18)13-9-12-11-3-1-2-4-14(11)21-15(12)10-17-13/h1-4,9-10H,5-8H2
InChIKeyFGHBVZQFENUTPG-UHFFFAOYSA-N
XLogP2.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone?
The IUPAC name of [1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone (CID 15634391) is [1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone.
What is the SMILES notation for [1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone?
The canonical SMILES for [1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone is O=C(c1cc2c(cn1)sc1ccccc12)N1CCOCC1.
What is the InChIKey of [1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone?
The InChIKey is FGHBVZQFENUTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-16(18-5-7-20-8-6-18)13-9-12-11-3-1-2-4-14(11)21-15(12)10-17-13/h1-4,9-10H,5-8H2.
What are the key properties of [1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone?
[1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone has a molecular weight of 298.37 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-c]pyridin-3-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 15634391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).