N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide

C10H15NO2S — CID 86816617

IUPACN-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide
SMILESCC(=O)NCCCSc1ccoc1C
InChIInChI=1S/C10H15NO2S/c1-8-10(4-6-13-8)14-7-3-5-11-9(2)12/h4,6H,3,5,7H2,1-2H3,(H,11,12)
InChIKeyQTRDHNKKKWAWDJ-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.21
Rot. Bonds5

About N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide

N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide (PubChem CID 86816617) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide
PubChem CID86816617
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide
SMILESCC(=O)NCCCSc1ccoc1C
InChIInChI=1S/C10H15NO2S/c1-8-10(4-6-13-8)14-7-3-5-11-9(2)12/h4,6H,3,5,7H2,1-2H3,(H,11,12)
InChIKeyQTRDHNKKKWAWDJ-UHFFFAOYSA-N
XLogP2.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide 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-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide?
The IUPAC name of N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide (CID 86816617) is N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide.
What is the SMILES notation for N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide?
The canonical SMILES for N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide is CC(=O)NCCCSc1ccoc1C.
What is the InChIKey of N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide?
The InChIKey is QTRDHNKKKWAWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8-10(4-6-13-8)14-7-3-5-11-9(2)12/h4,6H,3,5,7H2,1-2H3,(H,11,12).
What are the key properties of N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide?
N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide has a molecular weight of 213.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide is sourced from PubChem (CID 86816617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).