(1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine

C12H20BrNOS2 — CID 97322543

IUPAC(1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine
SMILESC[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(Br)s1
InChIInChI=1S/C12H20BrNOS2/c1-9(10-5-6-11(13)16-10)14-7-8-17(15)12(2,3)4/h5-6,9,14H,7-8H2,1-4H3/t9-,17-/m1/s1
InChIKeyLHAWZDWMQFUVFL-VVVCHXIZSA-N
MW338.34 g/mol
LogP3.71
Rot. Bonds5

About (1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine

(1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine (PubChem CID 97322543) has the molecular formula C12H20BrNOS2 and a molecular weight of 338.34 g/mol. Its IUPAC name is (1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine
PubChem CID97322543
Molecular FormulaC12H20BrNOS2
Molecular Weight338.34 g/mol
Exact Mass337.02
IUPAC Name(1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine
SMILESC[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(Br)s1
InChIInChI=1S/C12H20BrNOS2/c1-9(10-5-6-11(13)16-10)14-7-8-17(15)12(2,3)4/h5-6,9,14H,7-8H2,1-4H3/t9-,17-/m1/s1
InChIKeyLHAWZDWMQFUVFL-VVVCHXIZSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine
CID 115721127
1-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 65102628
(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
N-[1-(5-bromothiophen-2-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 81343374
(1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine
CID 97322563
N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine
CID 115566766
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide
CID 81296450
3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359127
N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine
CID 106008220
3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 65105459

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine?
The IUPAC name of (1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine (CID 97322543) is (1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine?
The canonical SMILES for (1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine is C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(Br)s1.
What is the InChIKey of (1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine?
The InChIKey is LHAWZDWMQFUVFL-VVVCHXIZSA-N. The full InChI is InChI=1S/C12H20BrNOS2/c1-9(10-5-6-11(13)16-10)14-7-8-17(15)12(2,3)4/h5-6,9,14H,7-8H2,1-4H3/t9-,17-/m1/s1.
What are the key properties of (1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine?
(1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine has a molecular weight of 338.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine is sourced from PubChem (CID 97322543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).