N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine

C10H18N2O2S — CID 54401873

IUPACN-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine
SMILESCCN(O)Cc1ccc(CSCCN)o1
InChIInChI=1S/C10H18N2O2S/c1-2-12(13)7-9-3-4-10(14-9)8-15-6-5-11/h3-4,13H,2,5-8,11H2,1H3
InChIKeyVNZHIFZKNSLYME-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.68
Rot. Bonds7

About N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine

N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine (PubChem CID 54401873) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine.

Molecular Properties

Compound NameN-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine
PubChem CID54401873
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine
SMILESCCN(O)Cc1ccc(CSCCN)o1
InChIInChI=1S/C10H18N2O2S/c1-2-12(13)7-9-3-4-10(14-9)8-15-6-5-11/h3-4,13H,2,5-8,11H2,1H3
InChIKeyVNZHIFZKNSLYME-UHFFFAOYSA-N
XLogP1.68
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine?
The IUPAC name of N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine (CID 54401873) is N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine.
What is the SMILES notation for N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine?
The canonical SMILES for N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine is CCN(O)Cc1ccc(CSCCN)o1.
What is the InChIKey of N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine?
The InChIKey is VNZHIFZKNSLYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-2-12(13)7-9-3-4-10(14-9)8-15-6-5-11/h3-4,13H,2,5-8,11H2,1H3.
What are the key properties of N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine?
N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine has a molecular weight of 230.33 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-aminoethylsulfanylmethyl)furan-2-yl]methyl]-N-ethylhydroxylamine is sourced from PubChem (CID 54401873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).