(4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine

C10H19N3OS — CID 106446019

IUPAC(4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine
SMILES[H]/N=C(/C1CSCCN1C)N1CCOCC1
InChIInChI=1S/C10H19N3OS/c1-12-4-7-15-8-9(12)10(11)13-2-5-14-6-3-13/h9,11H,2-8H2,1H3/b11-10-
InChIKeyBGXGQKCEGJOACL-KHPPLWFESA-N
MW229.35 g/mol
LogP0.34
Rot. Bonds1

About (4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine

(4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine (PubChem CID 106446019) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is (4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine
PubChem CID106446019
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name(4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine
SMILES[H]/N=C(/C1CSCCN1C)N1CCOCC1
InChIInChI=1S/C10H19N3OS/c1-12-4-7-15-8-9(12)10(11)13-2-5-14-6-3-13/h9,11H,2-8H2,1H3/b11-10-
InChIKeyBGXGQKCEGJOACL-KHPPLWFESA-N
XLogP0.34
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.34
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 (4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine?
The IUPAC name of (4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine (CID 106446019) is (4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine.
What is the SMILES notation for (4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine?
The canonical SMILES for (4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine is [H]/N=C(/C1CSCCN1C)N1CCOCC1.
What is the InChIKey of (4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine?
The InChIKey is BGXGQKCEGJOACL-KHPPLWFESA-N. The full InChI is InChI=1S/C10H19N3OS/c1-12-4-7-15-8-9(12)10(11)13-2-5-14-6-3-13/h9,11H,2-8H2,1H3/b11-10-.
What are the key properties of (4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine?
(4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine has a molecular weight of 229.35 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine is sourced from PubChem (CID 106446019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).