2-methyl-2-morpholin-4-ylsulfanylpropanal

C8H15NO2S — CID 15570456

IUPAC2-methyl-2-morpholin-4-ylsulfanylpropanal
SMILESCC(C)(C=O)SN1CCOCC1
InChIInChI=1S/C8H15NO2S/c1-8(2,7-10)12-9-3-5-11-6-4-9/h7H,3-6H2,1-2H3
InChIKeyZMIYZKXEZRJEGZ-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.94
Rot. Bonds3

About 2-methyl-2-morpholin-4-ylsulfanylpropanal

2-methyl-2-morpholin-4-ylsulfanylpropanal (PubChem CID 15570456) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-ylsulfanylpropanal.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-ylsulfanylpropanal
PubChem CID15570456
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-methyl-2-morpholin-4-ylsulfanylpropanal
SMILESCC(C)(C=O)SN1CCOCC1
InChIInChI=1S/C8H15NO2S/c1-8(2,7-10)12-9-3-5-11-6-4-9/h7H,3-6H2,1-2H3
InChIKeyZMIYZKXEZRJEGZ-UHFFFAOYSA-N
XLogP0.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-2-morpholin-4-ylsulfanylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-methylsulfanylmorpholine
CID 143553073
N-methylformamide;morpholin-4-ylphosphane
CID 176675914
2-methyl-2-(morpholin-4-ylmethyl)pentanal
CID 62276739
morpholin-4-yl thiohypofluorite
CID 139893676
ethane;4-ethylsulfanylmorpholine
CID 177159811
1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde
CID 86143378
2-methyl-2-(4-methylsulfanylmorpholin-4-ium-4-yl)propanal
CID 87214797
4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine
CID 139452580
2-[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]acetaldehyde
CID 91288121
2-methyl-3-(4-methylsulfanylphenyl)-2-morpholin-4-yl-3-oxopropanal
CID 18671064
4-(2,2,4,4-tetramethylpentan-3-yl)morpholine
CID 57301157
2-morpholin-4-ylpropane-2-thiol
CID 139318537

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-ylsulfanylpropanal?
The IUPAC name of 2-methyl-2-morpholin-4-ylsulfanylpropanal (CID 15570456) is 2-methyl-2-morpholin-4-ylsulfanylpropanal.
What is the SMILES notation for 2-methyl-2-morpholin-4-ylsulfanylpropanal?
The canonical SMILES for 2-methyl-2-morpholin-4-ylsulfanylpropanal is CC(C)(C=O)SN1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-ylsulfanylpropanal?
The InChIKey is ZMIYZKXEZRJEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-8(2,7-10)12-9-3-5-11-6-4-9/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-2-morpholin-4-ylsulfanylpropanal?
2-methyl-2-morpholin-4-ylsulfanylpropanal has a molecular weight of 189.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-ylsulfanylpropanal is sourced from PubChem (CID 15570456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).