[4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol

C10H14BrNO2S — CID 131186323

IUPAC[4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol
SMILESOCC1CSCCN1Cc1coc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c11-10-3-8(6-14-10)4-12-1-2-15-7-9(12)5-13/h3,6,9,13H,1-2,4-5,7H2
InChIKeyHJQWHORABILQMN-UHFFFAOYSA-N
MW292.20 g/mol
LogP1.95
Rot. Bonds3

About [4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol

[4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol (PubChem CID 131186323) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is [4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol
PubChem CID131186323
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name[4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol
SMILESOCC1CSCCN1Cc1coc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c11-10-3-8(6-14-10)4-12-1-2-15-7-9(12)5-13/h3,6,9,13H,1-2,4-5,7H2
InChIKeyHJQWHORABILQMN-UHFFFAOYSA-N
XLogP1.95
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol
CID 131115045
1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine
CID 131042743
1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine
CID 130653751
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide
CID 131019769
1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine
CID 131020830
[(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol
CID 97080825
2-[4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]acetic acid
CID 66444765
2-[4-[(4-bromo-3-methylphenyl)methyl]thiomorpholin-3-yl]acetic acid
CID 66479716
2-[3-(hydroxymethyl)thiomorpholin-4-yl]acetic acid
CID 130834958
2-[4-[(3,5-dimethylphenyl)methyl]thiomorpholin-3-yl]acetic acid
CID 66445166
2-(4-benzylthiomorpholin-3-yl)acetic acid
CID 66442992
1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 130825988

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol?
The IUPAC name of [4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol (CID 131186323) is [4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol.
What is the SMILES notation for [4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol?
The canonical SMILES for [4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol is OCC1CSCCN1Cc1coc(Br)c1.
What is the InChIKey of [4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol?
The InChIKey is HJQWHORABILQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c11-10-3-8(6-14-10)4-12-1-2-15-7-9(12)5-13/h3,6,9,13H,1-2,4-5,7H2.
What are the key properties of [4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol?
[4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol has a molecular weight of 292.20 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol is sourced from PubChem (CID 131186323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).