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

C13H13N5O3S — CID 9204376

IUPACN-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H13N5O3S/c19-12(6-22-13-15-16-17-18(13)9-2-3-9)14-8-1-4-10-11(5-8)21-7-20-10/h1,4-5,9H,2-3,6-7H2,(H,14,19)
InChIKeyKWKKJEHAWSULKO-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.47
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (PubChem CID 9204376) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
PubChem CID9204376
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H13N5O3S/c19-12(6-22-13-15-16-17-18(13)9-2-3-9)14-8-1-4-10-11(5-8)21-7-20-10/h1,4-5,9H,2-3,6-7H2,(H,14,19)
InChIKeyKWKKJEHAWSULKO-UHFFFAOYSA-N
XLogP1.47
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 46403946
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 9207134
N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 43377161
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 9437476
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 9439221
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 35493846
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26388936
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(2-phenylethynyl)phenyl]acetamide
CID 134004627
N-(1,3-benzodioxol-5-yl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1175644
N-(1,3-benzodioxol-5-yl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7649402
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 51244846
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31405406

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (CID 9204376) is N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1C1CC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is KWKKJEHAWSULKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c19-12(6-22-13-15-16-17-18(13)9-2-3-9)14-8-1-4-10-11(5-8)21-7-20-10/h1,4-5,9H,2-3,6-7H2,(H,14,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 319.35 g/mol, XLogP of 1.47, 5 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-cyclopropyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 9204376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).