[2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone

C10H11Cl2NO2S — CID 81210583

IUPAC[2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCOC(CCl)C1
InChIInChI=1S/C10H11Cl2NO2S/c11-5-7-6-13(3-4-15-7)10(14)8-1-2-9(12)16-8/h1-2,7H,3-6H2
InChIKeyKLLNDWHWURVCGN-UHFFFAOYSA-N
MW280.18 g/mol
LogP2.48
Rot. Bonds2

About [2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone

[2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone (PubChem CID 81210583) has the molecular formula C10H11Cl2NO2S and a molecular weight of 280.18 g/mol. Its IUPAC name is [2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone
PubChem CID81210583
Molecular FormulaC10H11Cl2NO2S
Molecular Weight280.18 g/mol
Exact Mass278.99
IUPAC Name[2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCOC(CCl)C1
InChIInChI=1S/C10H11Cl2NO2S/c11-5-7-6-13(3-4-15-7)10(14)8-1-2-9(12)16-8/h1-2,7H,3-6H2
InChIKeyKLLNDWHWURVCGN-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone 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-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone
CID 71801610
2-[[4-(5-chlorothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128972799
[2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 81210944
[2-(bromomethyl)morpholin-4-yl]-(5-bromothiophen-2-yl)methanone
CID 81211705
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 81210817
(2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 106503111
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
(E)-3-[5-[2-(hydroxymethyl)morpholine-4-carbonyl]thiophen-2-yl]prop-2-enoic acid
CID 81219453
(4-tert-butylphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210456
(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81209438
2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421949

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone (CID 81210583) is [2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for [2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone is O=C(c1ccc(Cl)s1)N1CCOC(CCl)C1.
What is the InChIKey of [2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone?
The InChIKey is KLLNDWHWURVCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2S/c11-5-7-6-13(3-4-15-7)10(14)8-1-2-9(12)16-8/h1-2,7H,3-6H2.
What are the key properties of [2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone?
[2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone has a molecular weight of 280.18 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 81210583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).