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

C15H17N5O3S — CID 647456

IUPACN-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N5O3S/c21-14(16-10-5-6-12-13(7-10)23-9-22-12)8-24-15-17-18-19-20(15)11-3-1-2-4-11/h5-7,11H,1-4,8-9H2,(H,16,21)
InChIKeyPELMKORNUVFZLN-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.25
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide (PubChem CID 647456) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
PubChem CID647456
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N5O3S/c21-14(16-10-5-6-12-13(7-10)23-9-22-12)8-24-15-17-18-19-20(15)11-3-1-2-4-11/h5-7,11H,1-4,8-9H2,(H,16,21)
InChIKeyPELMKORNUVFZLN-UHFFFAOYSA-N
XLogP2.25
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.25
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-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide (CID 647456) is N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1C1CCCC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is PELMKORNUVFZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c21-14(16-10-5-6-12-13(7-10)23-9-22-12)8-24-15-17-18-19-20(15)11-3-1-2-4-11/h5-7,11H,1-4,8-9H2,(H,16,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 347.40 g/mol, XLogP of 2.25, 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-cyclopentyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 647456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).