4-[(4-bromophenyl)methyl]thiomorpholine

C11H14BrNS — CID 785841

IUPAC4-[(4-bromophenyl)methyl]thiomorpholine
SMILESBrc1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C11H14BrNS/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
InChIKeyQRJPSPKQDYBMGV-UHFFFAOYSA-N
MW272.21 g/mol
LogP3.00
Rot. Bonds2

About 4-[(4-bromophenyl)methyl]thiomorpholine

4-[(4-bromophenyl)methyl]thiomorpholine (PubChem CID 785841) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]thiomorpholine
PubChem CID785841
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name4-[(4-bromophenyl)methyl]thiomorpholine
SMILESBrc1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C11H14BrNS/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
InChIKeyQRJPSPKQDYBMGV-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(p-Bromophenyl)thiazolidine
CID 2771064
4-(3-Fluorobenzyl)thiomorpholine
CID 1377206
1-Benzyl-4-[(4-bromophenyl)carbonothioyl]piperazine
CID 2185493
4-Bromo-N,N-dimethylbenzylamine
CID 235757
1-(4-Bromobenzyl)pyrrolidine
CID 12738004
1-[(4-Bromophenyl)carbonothioyl]-4-ethylpiperazine
CID 888529
(4-Bromo-phenyl)-pyrrolidin-1-yl-methanethione
CID 622907
1-(4-Bromobenzyl)piperidine
CID 16495045
(4-Bromophenyl)(4-methylpiperazin-1-yl)methanethione
CID 848272
4-(3,5-Dibromobenzyl)thiomorpholine
CID 2805141
Phenyl(thiomorpholin-4-yl)methanethione
CID 2732568
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(4-bromophenyl)methyl]thiomorpholine (CID 785841) is 4-[(4-bromophenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(4-bromophenyl)methyl]thiomorpholine is Brc1ccc(CN2CCSCC2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]thiomorpholine?
The InChIKey is QRJPSPKQDYBMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9H2.
What are the key properties of 4-[(4-bromophenyl)methyl]thiomorpholine?
4-[(4-bromophenyl)methyl]thiomorpholine has a molecular weight of 272.21 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]thiomorpholine is sourced from PubChem (CID 785841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).