2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide

C11H11N5O3S — CID 859370

IUPAC2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H11N5O3S/c12-10(17)6-20-11-13-14-15-16(11)7-1-2-8-9(5-7)19-4-3-18-8/h1-2,5H,3-4,6H2,(H2,12,17)
InChIKeyRLWQZFAKRUHBMC-UHFFFAOYSA-N
MW293.31 g/mol
LogP0.01
Rot. Bonds4

About 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide

2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 859370) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide
PubChem CID859370
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H11N5O3S/c12-10(17)6-20-11-13-14-15-16(11)7-1-2-8-9(5-7)19-4-3-18-8/h1-2,5H,3-4,6H2,(H2,12,17)
InChIKeyRLWQZFAKRUHBMC-UHFFFAOYSA-N
XLogP0.01
TPSA105.15 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 ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide (CID 859370) is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide is NC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is RLWQZFAKRUHBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c12-10(17)6-20-11-13-14-15-16(11)7-1-2-8-9(5-7)19-4-3-18-8/h1-2,5H,3-4,6H2,(H2,12,17).
What are the key properties of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide?
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 293.31 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 859370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).