[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine

C11H16BrNOS — CID 102844835

IUPAC[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine
SMILESCc1sc(C2OCCCC2CN)cc1Br
InChIInChI=1S/C11H16BrNOS/c1-7-9(12)5-10(15-7)11-8(6-13)3-2-4-14-11/h5,8,11H,2-4,6,13H2,1H3
InChIKeyHYVSGINLEFKGEI-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.25
Rot. Bonds2

About [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine

[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine (PubChem CID 102844835) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine
PubChem CID102844835
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine
SMILESCc1sc(C2OCCCC2CN)cc1Br
InChIInChI=1S/C11H16BrNOS/c1-7-9(12)5-10(15-7)11-8(6-13)3-2-4-14-11/h5,8,11H,2-4,6,13H2,1H3
InChIKeyHYVSGINLEFKGEI-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine
CID 102845718
[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol
CID 102845724
[2-(3-bromo-4-methylphenyl)oxan-3-yl]methanamine
CID 105411661
[2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine
CID 114078375
[2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 102844551
[2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine
CID 79427333
[2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
CID 102844546
N-[[2-(4,5-dibromothiophen-2-yl)oxan-3-yl]methyl]propan-1-amine
CID 102845700
2-(aminomethyl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-N-methylcyclopentan-1-amine
CID 102841769
3-bromo-5-cyclohexyl-2-methylthiophene
CID 102297438
[(2S,3S)-2-phenyloxan-3-yl]methanamine
CID 51892912
2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine
CID 102844737

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine?
The IUPAC name of [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine (CID 102844835) is [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine.
What is the SMILES notation for [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine?
The canonical SMILES for [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine is Cc1sc(C2OCCCC2CN)cc1Br.
What is the InChIKey of [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine?
The InChIKey is HYVSGINLEFKGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-7-9(12)5-10(15-7)11-8(6-13)3-2-4-14-11/h5,8,11H,2-4,6,13H2,1H3.
What are the key properties of [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine?
[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine has a molecular weight of 290.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine is sourced from PubChem (CID 102844835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).