[4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

C12H18BrNO2S — CID 114779935

IUPAC[4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2csc(Br)c2)CC(CO)O1
InChIInChI=1S/C12H18BrNO2S/c1-12(2)8-14(5-10(6-15)16-12)4-9-3-11(13)17-7-9/h3,7,10,15H,4-6,8H2,1-2H3
InChIKeyTVXOTFRIYUSFBS-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.48
Rot. Bonds3

About [4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779935) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is [4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779935
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name[4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2csc(Br)c2)CC(CO)O1
InChIInChI=1S/C12H18BrNO2S/c1-12(2)8-14(5-10(6-15)16-12)4-9-3-11(13)17-7-9/h3,7,10,15H,4-6,8H2,1-2H3
InChIKeyTVXOTFRIYUSFBS-UHFFFAOYSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine
CID 86993054
[4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779993
[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
CID 114779633
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777324
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777343
[6,6-dimethyl-4-[(3-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 114779835
[4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776468
[4-[(4-fluoro-2-methylphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779732
[4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779730
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776455

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114779935) is [4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(Cc2csc(Br)c2)CC(CO)O1.
What is the InChIKey of [4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is TVXOTFRIYUSFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-12(2)8-14(5-10(6-15)16-12)4-9-3-11(13)17-7-9/h3,7,10,15H,4-6,8H2,1-2H3.
What are the key properties of [4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 320.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).