N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide

C15H14N2O3S — CID 2824712

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14N2O3S/c18-14(10-21-15-3-1-2-6-16-15)17-11-4-5-12-13(9-11)20-8-7-19-12/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeyPWJSLQXLZBRLLC-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.58
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2824712) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID2824712
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14N2O3S/c18-14(10-21-15-3-1-2-6-16-15)17-11-4-5-12-13(9-11)20-8-7-19-12/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeyPWJSLQXLZBRLLC-UHFFFAOYSA-N
XLogP2.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide (CID 2824712) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is PWJSLQXLZBRLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-14(10-21-15-3-1-2-6-16-15)17-11-4-5-12-13(9-11)20-8-7-19-12/h1-6,9H,7-8,10H2,(H,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 302.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2824712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).