2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine

C8H15NO2S — CID 67796411

IUPAC2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine
SMILESCC1(CS(=O)CCN)CC=CO1
InChIInChI=1S/C8H15NO2S/c1-8(3-2-5-11-8)7-12(10)6-4-9/h2,5H,3-4,6-7,9H2,1H3
InChIKeyOAQNZCAOBQWELI-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.39
Rot. Bonds4

About 2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine

2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine (PubChem CID 67796411) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine.

Molecular Properties

Compound Name2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine
PubChem CID67796411
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine
SMILESCC1(CS(=O)CCN)CC=CO1
InChIInChI=1S/C8H15NO2S/c1-8(3-2-5-11-8)7-12(10)6-4-9/h2,5H,3-4,6-7,9H2,1H3
InChIKeyOAQNZCAOBQWELI-UHFFFAOYSA-N
XLogP0.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine?
The IUPAC name of 2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine (CID 67796411) is 2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine.
What is the SMILES notation for 2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine?
The canonical SMILES for 2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine is CC1(CS(=O)CCN)CC=CO1.
What is the InChIKey of 2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine?
The InChIKey is OAQNZCAOBQWELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-8(3-2-5-11-8)7-12(10)6-4-9/h2,5H,3-4,6-7,9H2,1H3.
What are the key properties of 2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine?
2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine has a molecular weight of 189.28 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine is sourced from PubChem (CID 67796411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).