N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide

C11H17NO2S — CID 107027131

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
SMILESCc1cc(C(C)NC(=O)C(C)S)c(C)o1
InChIInChI=1S/C11H17NO2S/c1-6-5-10(8(3)14-6)7(2)12-11(13)9(4)15/h5,7,9,15H,1-4H3,(H,12,13)
InChIKeyWNRGROBAIIPCKA-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.39
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide (PubChem CID 107027131) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
PubChem CID107027131
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
SMILESCc1cc(C(C)NC(=O)C(C)S)c(C)o1
InChIInChI=1S/C11H17NO2S/c1-6-5-10(8(3)14-6)7(2)12-11(13)9(4)15/h5,7,9,15H,1-4H3,(H,12,13)
InChIKeyWNRGROBAIIPCKA-UHFFFAOYSA-N
XLogP2.39
TPSA42.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide
CID 106591306
N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014343
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopropane-1-carboxamide
CID 114995788
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79811989
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide
CID 47442995
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide
CID 47442999
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-hydrazinylbenzamide
CID 62248634
(2S)-3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107839410
2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide
CID 116677534
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
CID 82829104

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide (CID 107027131) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide is Cc1cc(C(C)NC(=O)C(C)S)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide?
The InChIKey is WNRGROBAIIPCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-6-5-10(8(3)14-6)7(2)12-11(13)9(4)15/h5,7,9,15H,1-4H3,(H,12,13).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide has a molecular weight of 227.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide is sourced from PubChem (CID 107027131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).