N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C11H11N5O3S — CID 861220

IUPACN-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C11H11N5O3S/c1-16-11(13-14-15-16)20-5-10(17)12-7-2-3-8-9(4-7)19-6-18-8/h2-4H,5-6H2,1H3,(H,12,17)
InChIKeyYUNZOPMWNPWBBG-UHFFFAOYSA-N
MW293.31 g/mol
LogP0.67
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 861220) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID861220
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C11H11N5O3S/c1-16-11(13-14-15-16)20-5-10(17)12-7-2-3-8-9(4-7)19-6-18-8/h2-4H,5-6H2,1H3,(H,12,17)
InChIKeyYUNZOPMWNPWBBG-UHFFFAOYSA-N
XLogP0.67
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 861220) is N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is YUNZOPMWNPWBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-16-11(13-14-15-16)20-5-10(17)12-7-2-3-8-9(4-7)19-6-18-8/h2-4H,5-6H2,1H3,(H,12,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 293.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 861220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).