(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine

C11H14BrNOS — CID 105033503

IUPAC(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESCc1cc(C(N)C2=COCCC2)sc1Br
InChIInChI=1S/C11H14BrNOS/c1-7-5-9(15-11(7)12)10(13)8-3-2-4-14-6-8/h5-6,10H,2-4,13H2,1H3
InChIKeyFJECRVTWXAACFK-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.51
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine

(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine (PubChem CID 105033503) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
PubChem CID105033503
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESCc1cc(C(N)C2=COCCC2)sc1Br
InChIInChI=1S/C11H14BrNOS/c1-7-5-9(15-11(7)12)10(13)8-3-2-4-14-6-8/h5-6,10H,2-4,13H2,1H3
InChIKeyFJECRVTWXAACFK-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033279
3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine
CID 105033479
3,4-dihydro-2H-pyran-5-yl-(3-methylfuran-2-yl)methanamine
CID 104804172
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 79981059
(3-bromo-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033406
(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 103407202
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171203283
(2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 107946680
(5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156396
(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 131603717
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247467
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
CID 79996891

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine (CID 105033503) is (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine is Cc1cc(C(N)C2=COCCC2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The InChIKey is FJECRVTWXAACFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-7-5-9(15-11(7)12)10(13)8-3-2-4-14-6-8/h5-6,10H,2-4,13H2,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine has a molecular weight of 288.21 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine is sourced from PubChem (CID 105033503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).