N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine

C14H24N2O2S — CID 43769538

IUPACN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCSCc1ccc(CNCCCN2CCOCC2)o1
InChIInChI=1S/C14H24N2O2S/c1-19-12-14-4-3-13(18-14)11-15-5-2-6-16-7-9-17-10-8-16/h3-4,15H,2,5-12H2,1H3
InChIKeyUHVNXCOOMIBJKG-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.95
Rot. Bonds8

About N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 43769538) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID43769538
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCSCc1ccc(CNCCCN2CCOCC2)o1
InChIInChI=1S/C14H24N2O2S/c1-19-12-14-4-3-13(18-14)11-15-5-2-6-16-7-9-17-10-8-16/h3-4,15H,2,5-12H2,1H3
InChIKeyUHVNXCOOMIBJKG-UHFFFAOYSA-N
XLogP1.95
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.95
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]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine (CID 43769538) is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine is CSCc1ccc(CNCCCN2CCOCC2)o1.
What is the InChIKey of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is UHVNXCOOMIBJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-19-12-14-4-3-13(18-14)11-15-5-2-6-16-7-9-17-10-8-16/h3-4,15H,2,5-12H2,1H3.
What are the key properties of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 284.43 g/mol, XLogP of 1.95, 8 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]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 43769538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).