2-(3-methoxypropylsulfinyl)ethanamine

C6H15NO2S — CID 63857762

IUPAC2-(3-methoxypropylsulfinyl)ethanamine
SMILESCOCCCS(=O)CCN
InChIInChI=1S/C6H15NO2S/c1-9-4-2-5-10(8)6-3-7/h2-7H2,1H3
InChIKeyGTPTXAQVOVGJJQ-UHFFFAOYSA-N
MW165.26 g/mol
LogP-0.27
Rot. Bonds6

About 2-(3-methoxypropylsulfinyl)ethanamine

2-(3-methoxypropylsulfinyl)ethanamine (PubChem CID 63857762) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxypropylsulfinyl)ethanamine
PubChem CID63857762
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name2-(3-methoxypropylsulfinyl)ethanamine
SMILESCOCCCS(=O)CCN
InChIInChI=1S/C6H15NO2S/c1-9-4-2-5-10(8)6-3-7/h2-7H2,1H3
InChIKeyGTPTXAQVOVGJJQ-UHFFFAOYSA-N
XLogP-0.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(3-methoxypropylsulfinyl)ethanamine?
The IUPAC name of 2-(3-methoxypropylsulfinyl)ethanamine (CID 63857762) is 2-(3-methoxypropylsulfinyl)ethanamine.
What is the SMILES notation for 2-(3-methoxypropylsulfinyl)ethanamine?
The canonical SMILES for 2-(3-methoxypropylsulfinyl)ethanamine is COCCCS(=O)CCN.
What is the InChIKey of 2-(3-methoxypropylsulfinyl)ethanamine?
The InChIKey is GTPTXAQVOVGJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-9-4-2-5-10(8)6-3-7/h2-7H2,1H3.
What are the key properties of 2-(3-methoxypropylsulfinyl)ethanamine?
2-(3-methoxypropylsulfinyl)ethanamine has a molecular weight of 165.26 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylsulfinyl)ethanamine is sourced from PubChem (CID 63857762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).