1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine

C12H14BrNOS2 — CID 114000695

IUPAC1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine
SMILESCc1occc1SC(c1ccc(Br)s1)C(C)N
InChIInChI=1S/C12H14BrNOS2/c1-7(14)12(10-3-4-11(13)16-10)17-9-5-6-15-8(9)2/h3-7,12H,14H2,1-2H3
InChIKeyGEFKODGLZRZNNI-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.59
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine

1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine (PubChem CID 114000695) has the molecular formula C12H14BrNOS2 and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine
PubChem CID114000695
Molecular FormulaC12H14BrNOS2
Molecular Weight332.29 g/mol
Exact Mass330.97
IUPAC Name1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine
SMILESCc1occc1SC(c1ccc(Br)s1)C(C)N
InChIInChI=1S/C12H14BrNOS2/c1-7(14)12(10-3-4-11(13)16-10)17-9-5-6-15-8(9)2/h3-7,12H,14H2,1-2H3
InChIKeyGEFKODGLZRZNNI-UHFFFAOYSA-N
XLogP4.59
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107779881
1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine
CID 107779753
1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine
CID 102924749
3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol
CID 107770488
1-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine
CID 115478400
1-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
CID 114000683
1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine
CID 62771792
3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol
CID 66115909
2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan
CID 526624
2-(2-methylfuran-3-yl)sulfanylpentan-3-amine
CID 107784097
(5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 61081936
1-(5-bromothiophen-2-yl)-1-(4-propan-2-ylphenyl)sulfanylbutan-2-amine
CID 63539407

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine (CID 114000695) is 1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine is Cc1occc1SC(c1ccc(Br)s1)C(C)N.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine?
The InChIKey is GEFKODGLZRZNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS2/c1-7(14)12(10-3-4-11(13)16-10)17-9-5-6-15-8(9)2/h3-7,12H,14H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine?
1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine has a molecular weight of 332.29 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine is sourced from PubChem (CID 114000695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).