(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride

C8H12Br2ClNOS — CID 171215570

IUPAC(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H11Br2NOS.ClH/c9-5-4-7(13-8(5)10)6(11)2-1-3-12;/h4,6,12H,1-3,11H2;1H/t6-;/m1./s1
InChIKeyUHPYUQZQYIHGJO-FYZOBXCZSA-N
MW365.52 g/mol
LogP3.47
Rot. Bonds4

About (4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride

(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride (PubChem CID 171215570) has the molecular formula C8H12Br2ClNOS and a molecular weight of 365.52 g/mol. Its IUPAC name is (4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride
PubChem CID171215570
Molecular FormulaC8H12Br2ClNOS
Molecular Weight365.52 g/mol
Exact Mass362.87
IUPAC Name(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H11Br2NOS.ClH/c9-5-4-7(13-8(5)10)6(11)2-1-3-12;/h4,6,12H,1-3,11H2;1H/t6-;/m1./s1
InChIKeyUHPYUQZQYIHGJO-FYZOBXCZSA-N
XLogP3.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-4-(5-bromo-4-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171222868
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
6-amino-6-(4,5-dibromothiophen-2-yl)hexanoic acid
CID 80535411
(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
CID 171215563
(1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride
CID 171235193
(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine
CID 171215559
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171198523
(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055149
1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine
CID 105037154
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride (CID 171215570) is (4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride is Cl.N[C@H](CCCO)c1cc(Br)c(Br)s1.
What is the InChIKey of (4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride?
The InChIKey is UHPYUQZQYIHGJO-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H11Br2NOS.ClH/c9-5-4-7(13-8(5)10)6(11)2-1-3-12;/h4,6,12H,1-3,11H2;1H/t6-;/m1./s1.
What are the key properties of (4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride?
(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride has a molecular weight of 365.52 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171215570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).