morpholin-4-yl(thian-2-yl)methanimine

C10H18N2OS — CID 80637088

IUPACmorpholin-4-yl(thian-2-yl)methanimine
SMILES[H]/N=C(/C1CCCCS1)N1CCOCC1
InChIInChI=1S/C10H18N2OS/c11-10(9-3-1-2-8-14-9)12-4-6-13-7-5-12/h9,11H,1-8H2/b11-10-
InChIKeyNDRZIYDCBGXXHJ-KHPPLWFESA-N
MW214.33 g/mol
LogP1.58
Rot. Bonds1

About morpholin-4-yl(thian-2-yl)methanimine

morpholin-4-yl(thian-2-yl)methanimine (PubChem CID 80637088) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is morpholin-4-yl(thian-2-yl)methanimine.

Molecular Properties

Compound Namemorpholin-4-yl(thian-2-yl)methanimine
PubChem CID80637088
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Namemorpholin-4-yl(thian-2-yl)methanimine
SMILES[H]/N=C(/C1CCCCS1)N1CCOCC1
InChIInChI=1S/C10H18N2OS/c11-10(9-3-1-2-8-14-9)12-4-6-13-7-5-12/h9,11H,1-8H2/b11-10-
InChIKeyNDRZIYDCBGXXHJ-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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Related Compounds

CID 129059208
CID 129059208
CID 65134588
CID 65134588
CID 65140753
CID 65140753
CID 65141150
CID 65141150
CID 65143934
CID 65143934
CID 79965800
CID 79965800
CID 79969823
CID 79969823
CID 79969824
CID 79969824
CID 79969987
CID 79969987
CID 80637087
CID 80637087
CID 103346877
CID 103346877
CID 106446019
CID 106446019

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl(thian-2-yl)methanimine?
The IUPAC name of morpholin-4-yl(thian-2-yl)methanimine (CID 80637088) is morpholin-4-yl(thian-2-yl)methanimine.
What is the SMILES notation for morpholin-4-yl(thian-2-yl)methanimine?
The canonical SMILES for morpholin-4-yl(thian-2-yl)methanimine is [H]/N=C(/C1CCCCS1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl(thian-2-yl)methanimine?
The InChIKey is NDRZIYDCBGXXHJ-KHPPLWFESA-N. The full InChI is InChI=1S/C10H18N2OS/c11-10(9-3-1-2-8-14-9)12-4-6-13-7-5-12/h9,11H,1-8H2/b11-10-.
What are the key properties of morpholin-4-yl(thian-2-yl)methanimine?
morpholin-4-yl(thian-2-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 morpholin-4-yl(thian-2-yl)methanimine is sourced from PubChem (CID 80637088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).