[2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol

C12H18BrNOS — CID 111468945

IUPAC[2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1NCc1csc(Br)c1
InChIInChI=1S/C12H18BrNOS/c1-12(8-15)4-2-3-10(12)14-6-9-5-11(13)16-7-9/h5,7,10,14-15H,2-4,6,8H2,1H3
InChIKeyGJVAGLNKPSFUKU-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.15
Rot. Bonds4

About [2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol

[2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol (PubChem CID 111468945) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is [2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol
PubChem CID111468945
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name[2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1NCc1csc(Br)c1
InChIInChI=1S/C12H18BrNOS/c1-12(8-15)4-2-3-10(12)14-6-9-5-11(13)16-7-9/h5,7,10,14-15H,2-4,6,8H2,1H3
InChIKeyGJVAGLNKPSFUKU-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
CID 43431948
4-bromo-2-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]-6-methoxyphenol
CID 111468891
[2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol
CID 111468980
N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide
CID 111468901
[2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol
CID 115655341
3-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]-N-methylanilino]propanenitrile
CID 111468795
(3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol
CID 131089932
[2-[(2-methoxyphenyl)methylamino]-1-methylcyclopentyl]methanol
CID 111468885
[2-(2,2-dimethylpropylamino)-1-methylcyclopentyl]methanol
CID 115655345
[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
CID 113365810
[(1R,2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-1-methylcyclopentyl]methanol
CID 99792094
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861703

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol?
The IUPAC name of [2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol (CID 111468945) is [2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol.
What is the SMILES notation for [2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol?
The canonical SMILES for [2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol is CC1(CO)CCCC1NCc1csc(Br)c1.
What is the InChIKey of [2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol?
The InChIKey is GJVAGLNKPSFUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-12(8-15)4-2-3-10(12)14-6-9-5-11(13)16-7-9/h5,7,10,14-15H,2-4,6,8H2,1H3.
What are the key properties of [2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol?
[2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol has a molecular weight of 304.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol is sourced from PubChem (CID 111468945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).