1,4-oxathian-2-yl(piperidin-1-yl)methanimine

C10H18N2OS — CID 79969823

IUPAC1,4-oxathian-2-yl(piperidin-1-yl)methanimine
SMILES[H]/N=C(/C1CSCCO1)N1CCCCC1
InChIInChI=1S/C10H18N2OS/c11-10(9-8-14-7-6-13-9)12-4-2-1-3-5-12/h9,11H,1-8H2/b11-10-
InChIKeyQDETZVZNQJKSOR-KHPPLWFESA-N
MW214.33 g/mol
LogP1.58
Rot. Bonds1

About 1,4-oxathian-2-yl(piperidin-1-yl)methanimine

1,4-oxathian-2-yl(piperidin-1-yl)methanimine (PubChem CID 79969823) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1,4-oxathian-2-yl(piperidin-1-yl)methanimine.

Molecular Properties

Compound Name1,4-oxathian-2-yl(piperidin-1-yl)methanimine
PubChem CID79969823
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1,4-oxathian-2-yl(piperidin-1-yl)methanimine
SMILES[H]/N=C(/C1CSCCO1)N1CCCCC1
InChIInChI=1S/C10H18N2OS/c11-10(9-8-14-7-6-13-9)12-4-2-1-3-5-12/h9,11H,1-8H2/b11-10-
InChIKeyQDETZVZNQJKSOR-KHPPLWFESA-N
XLogP1.58
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-oxathian-2-yl(piperidin-1-yl)methanimine?
The IUPAC name of 1,4-oxathian-2-yl(piperidin-1-yl)methanimine (CID 79969823) is 1,4-oxathian-2-yl(piperidin-1-yl)methanimine.
What is the SMILES notation for 1,4-oxathian-2-yl(piperidin-1-yl)methanimine?
The canonical SMILES for 1,4-oxathian-2-yl(piperidin-1-yl)methanimine is [H]/N=C(/C1CSCCO1)N1CCCCC1.
What is the InChIKey of 1,4-oxathian-2-yl(piperidin-1-yl)methanimine?
The InChIKey is QDETZVZNQJKSOR-KHPPLWFESA-N. The full InChI is InChI=1S/C10H18N2OS/c11-10(9-8-14-7-6-13-9)12-4-2-1-3-5-12/h9,11H,1-8H2/b11-10-.
What are the key properties of 1,4-oxathian-2-yl(piperidin-1-yl)methanimine?
1,4-oxathian-2-yl(piperidin-1-yl)methanimine has a molecular weight of 214.33 g/mol, XLogP of 1.58, 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-yl(piperidin-1-yl)methanimine is sourced from PubChem (CID 79969823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).