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'}

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Related Compounds

3-((2-Methyl-3-furyl)thio)-2-butanone
CID 12980878
3-((2-Methyl-3-furyl)thio)butanal
CID 71587866
2-(Furfurylthio)ethylamine
CID 118970
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide
CID 2287878
N-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide
CID 2375381
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4827667
N-{2-[(2-furylmethyl)thio]ethyl}-3-[(4-methylphenyl)thio]propanamide
CID 2210311
N-[2-(uran-2-ylmethylsulanyl)ethyl]-2-(3-methoxyphenyl)sulanylacetamide
CID 2823370
2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 2823417
2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-propylacetamide
CID 53555030
(2E)-3-(furan-2-yl)-N-(propan-2-yl)prop-2-enamide
CID 963878
N-cyclopropyl-2-(furan-2-ylmethylsulfanyl)acetamide
CID 2381153

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).