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

C9H14BrNOS — CID 124626932

IUPAC(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
SMILESC[C@@H](CO)N[C@H](C)c1cc(Br)cs1
InChIInChI=1S/C9H14BrNOS/c1-6(4-12)11-7(2)9-3-8(10)5-13-9/h3,5-7,11-12H,4H2,1-2H3/t6-,7+/m0/s1
InChIKeyVQUAZPZNVWOREO-NKWVEPMBSA-N
MW264.19 g/mol
LogP2.54
Rot. Bonds4

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

(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol (PubChem CID 124626932) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
PubChem CID124626932
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
SMILESC[C@@H](CO)N[C@H](C)c1cc(Br)cs1
InChIInChI=1S/C9H14BrNOS/c1-6(4-12)11-7(2)9-3-8(10)5-13-9/h3,5-7,11-12H,4H2,1-2H3/t6-,7+/m0/s1
InChIKeyVQUAZPZNVWOREO-NKWVEPMBSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 107167468
2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol
CID 107167453
3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 107167314
2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol
CID 61348164
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
CID 116857267
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 107354090
N-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine
CID 107354387
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 107354281
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
3-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 107167370

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol (CID 124626932) is (2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol is C[C@@H](CO)N[C@H](C)c1cc(Br)cs1.
What is the InChIKey of (2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol?
The InChIKey is VQUAZPZNVWOREO-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-6(4-12)11-7(2)9-3-8(10)5-13-9/h3,5-7,11-12H,4H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol?
(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol has a molecular weight of 264.19 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 124626932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).