3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine

C12H19NO2S — CID 43771289

IUPAC3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESC=COCCCNCc1ccc(CSC)o1
InChIInChI=1S/C12H19NO2S/c1-3-14-8-4-7-13-9-11-5-6-12(15-11)10-16-2/h3,5-6,13H,1,4,7-10H2,2H3
InChIKeyAAOBBJYWLCBSRV-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.78
Rot. Bonds9

About 3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine

3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 43771289) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID43771289
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESC=COCCCNCc1ccc(CSC)o1
InChIInChI=1S/C12H19NO2S/c1-3-14-8-4-7-13-9-11-5-6-12(15-11)10-16-2/h3,5-6,13H,1,4,7-10H2,2H3
InChIKeyAAOBBJYWLCBSRV-UHFFFAOYSA-N
XLogP2.78
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine
CID 82940790
3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43771218
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
CID 103859574
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351652
3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 115710392
N',N'-diethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 43761839
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 61166436
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyridin-4-ylethanamine
CID 54944027
3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 4789471
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
CID 103802464

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine (CID 43771289) is 3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine is C=COCCCNCc1ccc(CSC)o1.
What is the InChIKey of 3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is AAOBBJYWLCBSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-14-8-4-7-13-9-11-5-6-12(15-11)10-16-2/h3,5-6,13H,1,4,7-10H2,2H3.
What are the key properties of 3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine?
3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 43771289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).