(3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine

C10H18N2OS2 — CID 115388969

IUPAC(3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine
SMILES[H]/N=C(/C1SCCSC1C)N1CCOCC1
InChIInChI=1S/C10H18N2OS2/c1-8-9(15-7-6-14-8)10(11)12-2-4-13-5-3-12/h8-9,11H,2-7H2,1H3/b11-10-
InChIKeyADVFBMCMMOTTGL-KHPPLWFESA-N
MW246.40 g/mol
LogP1.53
Rot. Bonds1

About (3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine

(3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine (PubChem CID 115388969) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine
PubChem CID115388969
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name(3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine
SMILES[H]/N=C(/C1SCCSC1C)N1CCOCC1
InChIInChI=1S/C10H18N2OS2/c1-8-9(15-7-6-14-8)10(11)12-2-4-13-5-3-12/h8-9,11H,2-7H2,1H3/b11-10-
InChIKeyADVFBMCMMOTTGL-KHPPLWFESA-N
XLogP1.53
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 51.53
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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Related Compounds

2-(4-Ethanimidoylthiomorpholin-2-yl)-1-morpholin-4-ylethanimine
CID 129059208
Ethane;1-morpholin-4-ylethanimine;1-thiomorpholin-4-ylethanimine
CID 142132176
2-Ethylsulfanyl-1-morpholin-4-ylethanimine
CID 65130264
1-Morpholin-4-yl-2-propan-2-ylsulfanylethanimine
CID 65133836
1-Morpholin-4-yl-2-propylsulfanylethanimine
CID 65134588
2-(2-Methylpropylsulfanyl)-1-morpholin-4-ylethanimine
CID 65137251
2-Tert-butylsulfanyl-1-morpholin-4-ylethanimine
CID 65137884
2-Butan-2-ylsulfanyl-1-morpholin-4-ylethanimine
CID 65141150
2-Cyclohexylsulfanyl-1-morpholin-4-ylethanimine
CID 65143934
1,4-Dithian-2-yl(morpholin-4-yl)methanimine
CID 79965800
N,N-diethyl-1,4-oxathiane-2-carboximidamide
CID 79969680
1,4-Oxathian-2-yl(piperidin-1-yl)methanimine
CID 79969823

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine?
The IUPAC name of (3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine (CID 115388969) is (3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine.
What is the SMILES notation for (3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine?
The canonical SMILES for (3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine is [H]/N=C(/C1SCCSC1C)N1CCOCC1.
What is the InChIKey of (3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine?
The InChIKey is ADVFBMCMMOTTGL-KHPPLWFESA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-8-9(15-7-6-14-8)10(11)12-2-4-13-5-3-12/h8-9,11H,2-7H2,1H3/b11-10-.
What are the key properties of (3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine?
(3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine has a molecular weight of 246.40 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,4-dithian-2-yl)-morpholin-4-ylmethanimine is sourced from PubChem (CID 115388969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).