1,4-oxathian-2-ylmethanamine

C5H11NOS — CID 79902582

IUPAC1,4-oxathian-2-ylmethanamine
SMILESNCC1CSCCO1
InChIInChI=1S/C5H11NOS/c6-3-5-4-8-2-1-7-5/h5H,1-4,6H2
InChIKeyGTUMXYMHHOGGGS-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.08
Rot. Bonds1

About 1,4-oxathian-2-ylmethanamine

1,4-oxathian-2-ylmethanamine (PubChem CID 79902582) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 1,4-oxathian-2-ylmethanamine.

Molecular Properties

Compound Name1,4-oxathian-2-ylmethanamine
PubChem CID79902582
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name1,4-oxathian-2-ylmethanamine
SMILESNCC1CSCCO1
InChIInChI=1S/C5H11NOS/c6-3-5-4-8-2-1-7-5/h5H,1-4,6H2
InChIKeyGTUMXYMHHOGGGS-UHFFFAOYSA-N
XLogP0.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-oxathian-2-ylmethanamine?
The IUPAC name of 1,4-oxathian-2-ylmethanamine (CID 79902582) is 1,4-oxathian-2-ylmethanamine.
What is the SMILES notation for 1,4-oxathian-2-ylmethanamine?
The canonical SMILES for 1,4-oxathian-2-ylmethanamine is NCC1CSCCO1.
What is the InChIKey of 1,4-oxathian-2-ylmethanamine?
The InChIKey is GTUMXYMHHOGGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c6-3-5-4-8-2-1-7-5/h5H,1-4,6H2.
What are the key properties of 1,4-oxathian-2-ylmethanamine?
1,4-oxathian-2-ylmethanamine has a molecular weight of 133.22 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxathian-2-ylmethanamine is sourced from PubChem (CID 79902582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).