N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine

C11H19NO3S — CID 115697427

IUPACN-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine
SMILESCCc1ccc(CNCCS(=O)(=O)CC)o1
InChIInChI=1S/C11H19NO3S/c1-3-10-5-6-11(15-10)9-12-7-8-16(13,14)4-2/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyAHVCLLJTHZRGEP-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.37
Rot. Bonds7

About N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine

N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine (PubChem CID 115697427) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine
PubChem CID115697427
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine
SMILESCCc1ccc(CNCCS(=O)(=O)CC)o1
InChIInChI=1S/C11H19NO3S/c1-3-10-5-6-11(15-10)9-12-7-8-16(13,14)4-2/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyAHVCLLJTHZRGEP-UHFFFAOYSA-N
XLogP1.37
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673
N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine
CID 62346664
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide
CID 114175071
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide
CID 64580129
4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine
CID 115697359
2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
CID 62347388
N-[(5-ethylfuran-2-yl)methyl]-1-phenylmethanamine
CID 62344690
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79762599
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol
CID 115697548
N-[[5-(2-methylsulfonylethylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 113372519
3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 114136736

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine (CID 115697427) is N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine is CCc1ccc(CNCCS(=O)(=O)CC)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine?
The InChIKey is AHVCLLJTHZRGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-3-10-5-6-11(15-10)9-12-7-8-16(13,14)4-2/h5-6,12H,3-4,7-9H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine?
N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine has a molecular weight of 245.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine is sourced from PubChem (CID 115697427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).