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

C16H19N5O3S — CID 649764

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H19N5O3S/c22-15(17-8-11-5-6-13-14(7-11)24-10-23-13)9-25-16-18-19-20-21(16)12-3-1-2-4-12/h5-7,12H,1-4,8-10H2,(H,17,22)
InChIKeyHLMJMXLDXAXECX-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.93
Rot. Bonds6

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

N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide (PubChem CID 649764) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
PubChem CID649764
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H19N5O3S/c22-15(17-8-11-5-6-13-14(7-11)24-10-23-13)9-25-16-18-19-20-21(16)12-3-1-2-4-12/h5-7,12H,1-4,8-10H2,(H,17,22)
InChIKeyHLMJMXLDXAXECX-UHFFFAOYSA-N
XLogP1.93
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide (CID 649764) is N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1C1CCCC1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is HLMJMXLDXAXECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c22-15(17-8-11-5-6-13-14(7-11)24-10-23-13)9-25-16-18-19-20-21(16)12-3-1-2-4-12/h5-7,12H,1-4,8-10H2,(H,17,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 361.43 g/mol, XLogP of 1.93, 6 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-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 649764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).