1-(1,4-oxathian-2-yl)ethanamine

C6H13NOS — CID 79962029

IUPAC1-(1,4-oxathian-2-yl)ethanamine
SMILESCC(N)C1CSCCO1
InChIInChI=1S/C6H13NOS/c1-5(7)6-4-9-3-2-8-6/h5-6H,2-4,7H2,1H3
InChIKeyNDXRGBOKXWWZKA-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.47
Rot. Bonds1

About 1-(1,4-oxathian-2-yl)ethanamine

1-(1,4-oxathian-2-yl)ethanamine (PubChem CID 79962029) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 1-(1,4-oxathian-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1,4-oxathian-2-yl)ethanamine
PubChem CID79962029
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name1-(1,4-oxathian-2-yl)ethanamine
SMILESCC(N)C1CSCCO1
InChIInChI=1S/C6H13NOS/c1-5(7)6-4-9-3-2-8-6/h5-6H,2-4,7H2,1H3
InChIKeyNDXRGBOKXWWZKA-UHFFFAOYSA-N
XLogP0.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-oxathian-2-yl)ethanamine?
The IUPAC name of 1-(1,4-oxathian-2-yl)ethanamine (CID 79962029) is 1-(1,4-oxathian-2-yl)ethanamine.
What is the SMILES notation for 1-(1,4-oxathian-2-yl)ethanamine?
The canonical SMILES for 1-(1,4-oxathian-2-yl)ethanamine is CC(N)C1CSCCO1.
What is the InChIKey of 1-(1,4-oxathian-2-yl)ethanamine?
The InChIKey is NDXRGBOKXWWZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(7)6-4-9-3-2-8-6/h5-6H,2-4,7H2,1H3.
What are the key properties of 1-(1,4-oxathian-2-yl)ethanamine?
1-(1,4-oxathian-2-yl)ethanamine has a molecular weight of 147.24 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-oxathian-2-yl)ethanamine is sourced from PubChem (CID 79962029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).