N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine

C11H21N3OS — CID 136989165

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
SMILESCCN1CCOC(C/N=C2\NC(C)CS2)C1
InChIInChI=1S/C11H21N3OS/c1-3-14-4-5-15-10(7-14)6-12-11-13-9(2)8-16-11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyLMQKIMMLDMNXQZ-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.79
Rot. Bonds3

About N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine

N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine (PubChem CID 136989165) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
PubChem CID136989165
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
SMILESCCN1CCOC(C/N=C2\NC(C)CS2)C1
InChIInChI=1S/C11H21N3OS/c1-3-14-4-5-15-10(7-14)6-12-11-13-9(2)8-16-11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyLMQKIMMLDMNXQZ-UHFFFAOYSA-N
XLogP0.79
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 137000888
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidin-2-imine
CID 135934635
2,4-diethylmorpholine
CID 58988021
4-ethyl-2-[[(3R)-3-methylpiperazin-1-yl]methyl]morpholine
CID 104975908
4-ethyl-2-propylmorpholine
CID 127673597
2-(4-ethylmorpholin-2-yl)acetonitrile
CID 79164435
2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
CID 79182491
4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine
CID 114401113
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182828
N-[(4-ethylmorpholin-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931828
N-[(4-ethylmorpholin-2-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83014407
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 79165540

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine (CID 136989165) is N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine is CCN1CCOC(C/N=C2\NC(C)CS2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The InChIKey is LMQKIMMLDMNXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-3-14-4-5-15-10(7-14)6-12-11-13-9(2)8-16-11/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine has a molecular weight of 243.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136989165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).