(5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine

C11H20N2OS2 — CID 103346877

IUPAC(5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine
SMILES[H]/N=C(/C1CSC(C)C(C)S1)N1CCOCC1
InChIInChI=1S/C11H20N2OS2/c1-8-9(2)16-10(7-15-8)11(12)13-3-5-14-6-4-13/h8-10,12H,3-7H2,1-2H3/b12-11-
InChIKeyFRWYCHYJCCTUHW-QXMHVHEDSA-N
MW260.43 g/mol
LogP1.92
Rot. Bonds1

About (5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine

(5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine (PubChem CID 103346877) has the molecular formula C11H20N2OS2 and a molecular weight of 260.43 g/mol. Its IUPAC name is (5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine
PubChem CID103346877
Molecular FormulaC11H20N2OS2
Molecular Weight260.43 g/mol
Exact Mass260.10
IUPAC Name(5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine
SMILES[H]/N=C(/C1CSC(C)C(C)S1)N1CCOCC1
InChIInChI=1S/C11H20N2OS2/c1-8-9(2)16-10(7-15-8)11(12)13-3-5-14-6-4-13/h8-10,12H,3-7H2,1-2H3/b12-11-
InChIKeyFRWYCHYJCCTUHW-QXMHVHEDSA-N
XLogP1.92
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine?
The IUPAC name of (5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine (CID 103346877) is (5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine.
What is the SMILES notation for (5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine?
The canonical SMILES for (5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine is [H]/N=C(/C1CSC(C)C(C)S1)N1CCOCC1.
What is the InChIKey of (5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine?
The InChIKey is FRWYCHYJCCTUHW-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H20N2OS2/c1-8-9(2)16-10(7-15-8)11(12)13-3-5-14-6-4-13/h8-10,12H,3-7H2,1-2H3/b12-11-.
What are the key properties of (5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine?
(5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine has a molecular weight of 260.43 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine is sourced from PubChem (CID 103346877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).