2-(4-ethoxythian-4-yl)ethanamine

C9H19NOS — CID 105443962

IUPAC2-(4-ethoxythian-4-yl)ethanamine
SMILESCCOC1(CCN)CCSCC1
InChIInChI=1S/C9H19NOS/c1-2-11-9(3-6-10)4-7-12-8-5-9/h2-8,10H2,1H3
InChIKeyXVTHWLVIBIWUJX-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.64
Rot. Bonds4

About 2-(4-ethoxythian-4-yl)ethanamine

2-(4-ethoxythian-4-yl)ethanamine (PubChem CID 105443962) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-(4-ethoxythian-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethoxythian-4-yl)ethanamine
PubChem CID105443962
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-(4-ethoxythian-4-yl)ethanamine
SMILESCCOC1(CCN)CCSCC1
InChIInChI=1S/C9H19NOS/c1-2-11-9(3-6-10)4-7-12-8-5-9/h2-8,10H2,1H3
InChIKeyXVTHWLVIBIWUJX-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxythian-4-yl)ethanamine?
The IUPAC name of 2-(4-ethoxythian-4-yl)ethanamine (CID 105443962) is 2-(4-ethoxythian-4-yl)ethanamine.
What is the SMILES notation for 2-(4-ethoxythian-4-yl)ethanamine?
The canonical SMILES for 2-(4-ethoxythian-4-yl)ethanamine is CCOC1(CCN)CCSCC1.
What is the InChIKey of 2-(4-ethoxythian-4-yl)ethanamine?
The InChIKey is XVTHWLVIBIWUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-2-11-9(3-6-10)4-7-12-8-5-9/h2-8,10H2,1H3.
What are the key properties of 2-(4-ethoxythian-4-yl)ethanamine?
2-(4-ethoxythian-4-yl)ethanamine has a molecular weight of 189.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxythian-4-yl)ethanamine is sourced from PubChem (CID 105443962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).