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

C10H10Br2ClNO2S — CID 81210944

IUPAC[2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)N1CCOC(CCl)C1
InChIInChI=1S/C10H10Br2ClNO2S/c11-7-3-8(17-9(7)12)10(15)14-1-2-16-6(4-13)5-14/h3,6H,1-2,4-5H2
InChIKeyOIYAVCZHMHFTHX-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.35
Rot. Bonds2

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

[2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone (PubChem CID 81210944) has the molecular formula C10H10Br2ClNO2S and a molecular weight of 403.52 g/mol. Its IUPAC name is [2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone
PubChem CID81210944
Molecular FormulaC10H10Br2ClNO2S
Molecular Weight403.52 g/mol
Exact Mass400.85
IUPAC Name[2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)N1CCOC(CCl)C1
InChIInChI=1S/C10H10Br2ClNO2S/c11-7-3-8(17-9(7)12)10(15)14-1-2-16-6(4-13)5-14/h3,6H,1-2,4-5H2
InChIKeyOIYAVCZHMHFTHX-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.35
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

[2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone
CID 81210583
(4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932957
(4,5-dibromothiophen-2-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030031
(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81209438
[2-(bromomethyl)morpholin-4-yl]-(5-bromothiophen-2-yl)methanone
CID 81211705
[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 81210817
(4,5-dibromothiophen-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678693
(4,5-dibromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 78986133
(2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 106503111
4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile
CID 79965069
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
[2-(chloromethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 81210941

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone?
The IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone (CID 81210944) is [2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone?
The canonical SMILES for [2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone is O=C(c1cc(Br)c(Br)s1)N1CCOC(CCl)C1.
What is the InChIKey of [2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone?
The InChIKey is OIYAVCZHMHFTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2ClNO2S/c11-7-3-8(17-9(7)12)10(15)14-1-2-16-6(4-13)5-14/h3,6H,1-2,4-5H2.
What are the key properties of [2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone?
[2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone has a molecular weight of 403.52 g/mol, XLogP of 3.35, 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]-(4,5-dibromothiophen-2-yl)methanone is sourced from PubChem (CID 81210944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).