2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone

C10H12ClNO2S — CID 62225934

IUPAC2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone
SMILESO=C(C(Cl)c1cccs1)N1CCOCC1
InChIInChI=1S/C10H12ClNO2S/c11-9(8-2-1-7-15-8)10(13)12-3-5-14-6-4-12/h1-2,7,9H,3-6H2
InChIKeyHBQYECUQLIBZEH-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.89
Rot. Bonds2

About 2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone

2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone (PubChem CID 62225934) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone
PubChem CID62225934
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone
SMILESO=C(C(Cl)c1cccs1)N1CCOCC1
InChIInChI=1S/C10H12ClNO2S/c11-9(8-2-1-7-15-8)10(13)12-3-5-14-6-4-12/h1-2,7,9H,3-6H2
InChIKeyHBQYECUQLIBZEH-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 115575769
4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one
CID 82120337
3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile
CID 82119303
N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
CID 47017273
2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 62226501
2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone
CID 62224102
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 93159855
(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
CID 17446175
2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone
CID 106818467
N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 9117695
2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone
CID 66159358
morpholin-4-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944617

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone?
The IUPAC name of 2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone (CID 62225934) is 2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone?
The canonical SMILES for 2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone is O=C(C(Cl)c1cccs1)N1CCOCC1.
What is the InChIKey of 2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone?
The InChIKey is HBQYECUQLIBZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c11-9(8-2-1-7-15-8)10(13)12-3-5-14-6-4-12/h1-2,7,9H,3-6H2.
What are the key properties of 2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone?
2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone has a molecular weight of 245.73 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone is sourced from PubChem (CID 62225934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).