2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial

C12H14ClNOS — CID 87766572

IUPAC2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial
SMILESS=CCN1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H14ClNOS/c13-11-3-1-10(2-4-11)12-9-14(6-8-16)5-7-15-12/h1-4,8,12H,5-7,9H2
InChIKeyFLTMRFWAKFHORD-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.71
Rot. Bonds3

About 2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial

2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial (PubChem CID 87766572) has the molecular formula C12H14ClNOS and a molecular weight of 255.77 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial
PubChem CID87766572
Molecular FormulaC12H14ClNOS
Molecular Weight255.77 g/mol
Exact Mass255.05
IUPAC Name2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial
SMILESS=CCN1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H14ClNOS/c13-11-3-1-10(2-4-11)12-9-14(6-8-16)5-7-15-12/h1-4,8,12H,5-7,9H2
InChIKeyFLTMRFWAKFHORD-UHFFFAOYSA-N
XLogP2.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial 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

2-[4-(4-chlorophenoxy)phenyl]-4-ethylmorpholine
CID 142654768
2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
CID 119930317
(2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95555865
1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 138994235
(2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine
CID 95553285
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60504824
5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898548
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 56757034
3-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]benzoic acid
CID 122034855
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methylphenyl)acetamide
CID 60516267
(2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine
CID 95564082
2-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione
CID 78905519

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial?
The IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial (CID 87766572) is 2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial.
What is the SMILES notation for 2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial?
The canonical SMILES for 2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial is S=CCN1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial?
The InChIKey is FLTMRFWAKFHORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNOS/c13-11-3-1-10(2-4-11)12-9-14(6-8-16)5-7-15-12/h1-4,8,12H,5-7,9H2.
What are the key properties of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial?
2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial has a molecular weight of 255.77 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial is sourced from PubChem (CID 87766572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).