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

C11H18BrNOS — CID 97051516

IUPAC(4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
SMILESC[C@H](CCCO)N[C@@H](C)c1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-8(4-3-7-14)13-9(2)10-5-6-11(12)15-10/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t8-,9+/m1/s1
InChIKeyGUJGQIAAZFRNPR-BDAKNGLRSA-N
MW292.24 g/mol
LogP3.32
Rot. Bonds6

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

(4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol (PubChem CID 97051516) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is (4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name(4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
PubChem CID97051516
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name(4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
SMILESC[C@H](CCCO)N[C@@H](C)c1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-8(4-3-7-14)13-9(2)10-5-6-11(12)15-10/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t8-,9+/m1/s1
InChIKeyGUJGQIAAZFRNPR-BDAKNGLRSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 81338565
N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine
CID 63421410
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721712
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 104980461
4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66090594
(3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol
CID 103871723
(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol
CID 97051530
3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol
CID 66115909
(1R)-1-(2-bromophenyl)-N-[1-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 81378370
(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
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine
CID 63455141

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol?
The IUPAC name of (4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol (CID 97051516) is (4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for (4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol?
The canonical SMILES for (4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol is C[C@H](CCCO)N[C@@H](C)c1ccc(Br)s1.
What is the InChIKey of (4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol?
The InChIKey is GUJGQIAAZFRNPR-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-8(4-3-7-14)13-9(2)10-5-6-11(12)15-10/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol?
(4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol has a molecular weight of 292.24 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 97051516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).