2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine

C11H19NO2S — CID 107781098

IUPAC2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine
SMILESCCOC(CN)CCSc1ccoc1C
InChIInChI=1S/C11H19NO2S/c1-3-13-10(8-12)5-7-15-11-4-6-14-9(11)2/h4,6,10H,3,5,7-8,12H2,1-2H3
InChIKeyLUAAWOXDBHXMRU-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.43
Rot. Bonds7

About 2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine

2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine (PubChem CID 107781098) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine
PubChem CID107781098
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine
SMILESCCOC(CN)CCSc1ccoc1C
InChIInChI=1S/C11H19NO2S/c1-3-13-10(8-12)5-7-15-11-4-6-14-9(11)2/h4,6,10H,3,5,7-8,12H2,1-2H3
InChIKeyLUAAWOXDBHXMRU-UHFFFAOYSA-N
XLogP2.43
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine?
The IUPAC name of 2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine (CID 107781098) is 2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine?
The canonical SMILES for 2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine is CCOC(CN)CCSc1ccoc1C.
What is the InChIKey of 2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine?
The InChIKey is LUAAWOXDBHXMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-3-13-10(8-12)5-7-15-11-4-6-14-9(11)2/h4,6,10H,3,5,7-8,12H2,1-2H3.
What are the key properties of 2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine?
2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine has a molecular weight of 229.34 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine is sourced from PubChem (CID 107781098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).