4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine

C10H13BrClNOS — CID 81210610

IUPAC4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine
SMILESClCC1CN(Cc2cc(Br)cs2)CCO1
InChIInChI=1S/C10H13BrClNOS/c11-8-3-10(15-7-8)6-13-1-2-14-9(4-12)5-13/h3,7,9H,1-2,4-6H2
InChIKeyIPVICWQNXRPLSD-UHFFFAOYSA-N
MW310.64 g/mol
LogP2.95
Rot. Bonds3

About 4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine

4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine (PubChem CID 81210610) has the molecular formula C10H13BrClNOS and a molecular weight of 310.64 g/mol. Its IUPAC name is 4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine.

Molecular Properties

Compound Name4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine
PubChem CID81210610
Molecular FormulaC10H13BrClNOS
Molecular Weight310.64 g/mol
Exact Mass308.96
IUPAC Name4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine
SMILESClCC1CN(Cc2cc(Br)cs2)CCO1
InChIInChI=1S/C10H13BrClNOS/c11-8-3-10(15-7-8)6-13-1-2-14-9(4-12)5-13/h3,7,9H,1-2,4-6H2
InChIKeyIPVICWQNXRPLSD-UHFFFAOYSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.64
LogP ≤ 52.95
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

4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81210968
4-[(4-bromothiophen-2-yl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 79680504
1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917618
2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
CID 81210247
3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 81219294
4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 81219215
2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648060
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684
(E)-3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-enoic acid
CID 81219619
(2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine
CID 59332666
4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81214267
(3R)-1-[(4-bromothiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 129368760

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine?
The IUPAC name of 4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine (CID 81210610) is 4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine.
What is the SMILES notation for 4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine?
The canonical SMILES for 4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine is ClCC1CN(Cc2cc(Br)cs2)CCO1.
What is the InChIKey of 4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine?
The InChIKey is IPVICWQNXRPLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNOS/c11-8-3-10(15-7-8)6-13-1-2-14-9(4-12)5-13/h3,7,9H,1-2,4-6H2.
What are the key properties of 4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine?
4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine has a molecular weight of 310.64 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine is sourced from PubChem (CID 81210610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).