(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol

C10H16BrNOS — CID 96784282

IUPAC(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
SMILESC[C@H](O)CCN[C@H](C)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNOS/c1-7(13)5-6-12-8(2)9-3-4-10(11)14-9/h3-4,7-8,12-13H,5-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyYKJJLDVIXXPLSH-JGVFFNPUSA-N
MW278.22 g/mol
LogP2.93
Rot. Bonds5

About (2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol

(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol (PubChem CID 96784282) has the molecular formula C10H16BrNOS and a molecular weight of 278.22 g/mol. Its IUPAC name is (2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
PubChem CID96784282
Molecular FormulaC10H16BrNOS
Molecular Weight278.22 g/mol
Exact Mass277.01
IUPAC Name(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
SMILESC[C@H](O)CCN[C@H](C)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNOS/c1-7(13)5-6-12-8(2)9-3-4-10(11)14-9/h3-4,7-8,12-13H,5-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyYKJJLDVIXXPLSH-JGVFFNPUSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol with MolForge

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Related Compounds

(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66090594
N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine
CID 115566766
1-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 65102628
3-[1-(5-bromothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 115712100
N-[1-(5-bromothiophen-2-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 81343374
3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 65105459
3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359127
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide
CID 60999476
(1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine
CID 97322543
1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763036

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol?
The IUPAC name of (2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol (CID 96784282) is (2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol.
What is the SMILES notation for (2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol?
The canonical SMILES for (2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol is C[C@H](O)CCN[C@H](C)c1ccc(Br)s1.
What is the InChIKey of (2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol?
The InChIKey is YKJJLDVIXXPLSH-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-7(13)5-6-12-8(2)9-3-4-10(11)14-9/h3-4,7-8,12-13H,5-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol?
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol has a molecular weight of 278.22 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol is sourced from PubChem (CID 96784282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).