2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine

C11H12BrNOS2 — CID 107779881

IUPAC2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine
SMILESCc1occc1SC(CN)c1ccc(Br)s1
InChIInChI=1S/C11H12BrNOS2/c1-7-8(4-5-14-7)15-10(6-13)9-2-3-11(12)16-9/h2-5,10H,6,13H2,1H3
InChIKeyCQKGJHZOYLZUNW-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.20
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine

2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine (PubChem CID 107779881) has the molecular formula C11H12BrNOS2 and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine
PubChem CID107779881
Molecular FormulaC11H12BrNOS2
Molecular Weight318.26 g/mol
Exact Mass316.95
IUPAC Name2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine
SMILESCc1occc1SC(CN)c1ccc(Br)s1
InChIInChI=1S/C11H12BrNOS2/c1-7-8(4-5-14-7)15-10(6-13)9-2-3-11(12)16-9/h2-5,10H,6,13H2,1H3
InChIKeyCQKGJHZOYLZUNW-UHFFFAOYSA-N
XLogP4.20
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine
CID 114000695
2-(5-bromothiophen-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamine
CID 115478346
2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107780038
2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan
CID 526624
2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine
CID 114790395
3-(2-methylfuran-3-yl)sulfanylpentan-1-amine
CID 107781103
1-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
CID 114000683
2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine
CID 83824574
(5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 61081936
4,4,4-trifluoro-3-(2-methylfuran-3-yl)sulfanylbutan-1-amine
CID 107781113
2-(2-methylfuran-3-yl)sulfanylpentanoic acid
CID 107779094
1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945742

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine (CID 107779881) is 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine is Cc1occc1SC(CN)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine?
The InChIKey is CQKGJHZOYLZUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS2/c1-7-8(4-5-14-7)15-10(6-13)9-2-3-11(12)16-9/h2-5,10H,6,13H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine?
2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine has a molecular weight of 318.26 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine is sourced from PubChem (CID 107779881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).