N-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide

C14H12N2O3S — CID 708800

IUPACN-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H12N2O3S/c17-13(8-20-14-3-1-2-6-15-14)16-10-4-5-11-12(7-10)19-9-18-11/h1-7H,8-9H2,(H,16,17)
InChIKeyNOULOSKCUQYBIA-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.54
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide

N-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 708800) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID708800
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H12N2O3S/c17-13(8-20-14-3-1-2-6-15-14)16-10-4-5-11-12(7-10)19-9-18-11/h1-7H,8-9H2,(H,16,17)
InChIKeyNOULOSKCUQYBIA-UHFFFAOYSA-N
XLogP2.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide (CID 708800) is N-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is NOULOSKCUQYBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-13(8-20-14-3-1-2-6-15-14)16-10-4-5-11-12(7-10)19-9-18-11/h1-7H,8-9H2,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide?
N-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 288.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 708800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).