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

C17H16N2OS — CID 14233054

IUPAC[1]benzothiolo[2,3-c]pyridin-3-yl(piperidin-1-yl)methanone
SMILESO=C(c1cc2c(cn1)sc1ccccc12)N1CCCCC1
InChIInChI=1S/C17H16N2OS/c20-17(19-8-4-1-5-9-19)14-10-13-12-6-2-3-7-15(12)21-16(13)11-18-14/h2-3,6-7,10-11H,1,4-5,8-9H2
InChIKeyTVXRFJYVRFYDEX-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.08
Rot. Bonds1

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

[1]benzothiolo[2,3-c]pyridin-3-yl(piperidin-1-yl)methanone (PubChem CID 14233054) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is [1]benzothiolo[2,3-c]pyridin-3-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name[1]benzothiolo[2,3-c]pyridin-3-yl(piperidin-1-yl)methanone
PubChem CID14233054
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name[1]benzothiolo[2,3-c]pyridin-3-yl(piperidin-1-yl)methanone
SMILESO=C(c1cc2c(cn1)sc1ccccc12)N1CCCCC1
InChIInChI=1S/C17H16N2OS/c20-17(19-8-4-1-5-9-19)14-10-13-12-6-2-3-7-15(12)21-16(13)11-18-14/h2-3,6-7,10-11H,1,4-5,8-9H2
InChIKeyTVXRFJYVRFYDEX-UHFFFAOYSA-N
XLogP4.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-c]pyridin-3-yl(piperidin-1-yl)methanone?
The IUPAC name of [1]benzothiolo[2,3-c]pyridin-3-yl(piperidin-1-yl)methanone (CID 14233054) is [1]benzothiolo[2,3-c]pyridin-3-yl(piperidin-1-yl)methanone.
What is the SMILES notation for [1]benzothiolo[2,3-c]pyridin-3-yl(piperidin-1-yl)methanone?
The canonical SMILES for [1]benzothiolo[2,3-c]pyridin-3-yl(piperidin-1-yl)methanone is O=C(c1cc2c(cn1)sc1ccccc12)N1CCCCC1.
What is the InChIKey of [1]benzothiolo[2,3-c]pyridin-3-yl(piperidin-1-yl)methanone?
The InChIKey is TVXRFJYVRFYDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-17(19-8-4-1-5-9-19)14-10-13-12-6-2-3-7-15(12)21-16(13)11-18-14/h2-3,6-7,10-11H,1,4-5,8-9H2.
What are the key properties of [1]benzothiolo[2,3-c]pyridin-3-yl(piperidin-1-yl)methanone?
[1]benzothiolo[2,3-c]pyridin-3-yl(piperidin-1-yl)methanone has a molecular weight of 296.39 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-c]pyridin-3-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 14233054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).