[4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol

C10H14BrNOS2 — CID 131115045

IUPAC[4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol
SMILESOCC1CSCCN1Cc1cc(Br)cs1
InChIInChI=1S/C10H14BrNOS2/c11-8-3-10(15-6-8)4-12-1-2-14-7-9(12)5-13/h3,6,9,13H,1-2,4-5,7H2
InChIKeyNEMLRFNTKANGLW-UHFFFAOYSA-N
MW308.27 g/mol
LogP2.42
Rot. Bonds3

About [4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol

[4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol (PubChem CID 131115045) has the molecular formula C10H14BrNOS2 and a molecular weight of 308.27 g/mol. Its IUPAC name is [4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol
PubChem CID131115045
Molecular FormulaC10H14BrNOS2
Molecular Weight308.27 g/mol
Exact Mass306.97
IUPAC Name[4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol
SMILESOCC1CSCCN1Cc1cc(Br)cs1
InChIInChI=1S/C10H14BrNOS2/c11-8-3-10(15-6-8)4-12-1-2-14-7-9(12)5-13/h3,6,9,13H,1-2,4-5,7H2
InChIKeyNEMLRFNTKANGLW-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]acetic acid
CID 66444765
[4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol
CID 131186323
3-[1-[(4-bromothiophen-2-yl)methyl]piperidin-2-yl]propanoic acid
CID 62215668
[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 30842680
(2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine
CID 82705689
2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648060
3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine
CID 130757002
2-[3-(hydroxymethyl)thiomorpholin-4-yl]acetic acid
CID 130834958
N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110898936
3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylpyrrolidine
CID 130831781
2-[(4-bromothiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine
CID 131123705
trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol
CID 122237299

Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol?
The IUPAC name of [4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol (CID 131115045) is [4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol.
What is the SMILES notation for [4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol?
The canonical SMILES for [4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol is OCC1CSCCN1Cc1cc(Br)cs1.
What is the InChIKey of [4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol?
The InChIKey is NEMLRFNTKANGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS2/c11-8-3-10(15-6-8)4-12-1-2-14-7-9(12)5-13/h3,6,9,13H,1-2,4-5,7H2.
What are the key properties of [4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol?
[4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol has a molecular weight of 308.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol is sourced from PubChem (CID 131115045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).