N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine

C13H22N2O2S — CID 43764247

IUPACN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCSCc1ccc(CNCCN2CCOCC2)o1
InChIInChI=1S/C13H22N2O2S/c1-18-11-13-3-2-12(17-13)10-14-4-5-15-6-8-16-9-7-15/h2-3,14H,4-11H2,1H3
InChIKeyKAEYXAYAMCZPRR-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.56
Rot. Bonds7

About N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 43764247) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
PubChem CID43764247
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCSCc1ccc(CNCCN2CCOCC2)o1
InChIInChI=1S/C13H22N2O2S/c1-18-11-13-3-2-12(17-13)10-14-4-5-15-6-8-16-9-7-15/h2-3,14H,4-11H2,1H3
InChIKeyKAEYXAYAMCZPRR-UHFFFAOYSA-N
XLogP1.56
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine (CID 43764247) is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine is CSCc1ccc(CNCCN2CCOCC2)o1.
What is the InChIKey of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is KAEYXAYAMCZPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-18-11-13-3-2-12(17-13)10-14-4-5-15-6-8-16-9-7-15/h2-3,14H,4-11H2,1H3.
What are the key properties of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine?
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 270.40 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 43764247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).