2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine

C10H14BrNOS — CID 102845718

IUPAC2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine
SMILESCc1sc(C2OCCCC2N)cc1Br
InChIInChI=1S/C10H14BrNOS/c1-6-7(11)5-9(14-6)10-8(12)3-2-4-13-10/h5,8,10H,2-4,12H2,1H3
InChIKeyORGBHDGGGJAXOH-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.00
Rot. Bonds1

About 2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine

2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine (PubChem CID 102845718) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine
PubChem CID102845718
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine
SMILESCc1sc(C2OCCCC2N)cc1Br
InChIInChI=1S/C10H14BrNOS/c1-6-7(11)5-9(14-6)10-8(12)3-2-4-13-10/h5,8,10H,2-4,12H2,1H3
InChIKeyORGBHDGGGJAXOH-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine
CID 102844835
[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol
CID 102845724
3-bromo-5-cyclohexyl-2-methylthiophene
CID 102297438
2-(2-bromo-4,5-dimethoxyphenyl)oxan-3-amine
CID 79365326
2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine
CID 102844737
2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine
CID 102844765
2-(3,5-dimethylphenyl)oxan-3-amine
CID 79364779
2-thiophen-2-yloxan-3-amine
CID 79365694
N-[[2-(4,5-dibromothiophen-2-yl)oxan-3-yl]methyl]propan-1-amine
CID 102845700
(2S,3R)-2-(4-methylphenyl)oxan-3-amine
CID 95757199
2-(4-bromo-3-fluorophenyl)oxan-3-amine
CID 81441150
2-(3-bromo-4-fluorophenyl)oxan-3-amine
CID 79364591

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine (CID 102845718) is 2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine is Cc1sc(C2OCCCC2N)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine?
The InChIKey is ORGBHDGGGJAXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-6-7(11)5-9(14-6)10-8(12)3-2-4-13-10/h5,8,10H,2-4,12H2,1H3.
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine?
2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine has a molecular weight of 276.20 g/mol, XLogP of 3.00, 1 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-amine is sourced from PubChem (CID 102845718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).