2-amino-2-(4,5-dibromothiophen-2-yl)ethanol

C6H7Br2NOS — CID 103846013

IUPAC2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
SMILESNC(CO)c1cc(Br)c(Br)s1
InChIInChI=1S/C6H7Br2NOS/c7-3-1-5(4(9)2-10)11-6(3)8/h1,4,10H,2,9H2
InChIKeyXMPBBMFTPRICNE-UHFFFAOYSA-N
MW301.00 g/mol
LogP2.27
Rot. Bonds2

About 2-amino-2-(4,5-dibromothiophen-2-yl)ethanol

2-amino-2-(4,5-dibromothiophen-2-yl)ethanol (PubChem CID 103846013) has the molecular formula C6H7Br2NOS and a molecular weight of 301.00 g/mol. Its IUPAC name is 2-amino-2-(4,5-dibromothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
PubChem CID103846013
Molecular FormulaC6H7Br2NOS
Molecular Weight301.00 g/mol
Exact Mass298.86
IUPAC Name2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
SMILESNC(CO)c1cc(Br)c(Br)s1
InChIInChI=1S/C6H7Br2NOS/c7-3-1-5(4(9)2-10)11-6(3)8/h1,4,10H,2,9H2
InChIKeyXMPBBMFTPRICNE-UHFFFAOYSA-N
XLogP2.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.00
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171215570
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
CID 171215563
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055149
1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine
CID 105005773
6-amino-6-(4,5-dibromothiophen-2-yl)hexanoic acid
CID 80535411
2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 80532924
(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine
CID 171215559
(1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride
CID 171235193
1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine
CID 105037154

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4,5-dibromothiophen-2-yl)ethanol?
The IUPAC name of 2-amino-2-(4,5-dibromothiophen-2-yl)ethanol (CID 103846013) is 2-amino-2-(4,5-dibromothiophen-2-yl)ethanol.
What is the SMILES notation for 2-amino-2-(4,5-dibromothiophen-2-yl)ethanol?
The canonical SMILES for 2-amino-2-(4,5-dibromothiophen-2-yl)ethanol is NC(CO)c1cc(Br)c(Br)s1.
What is the InChIKey of 2-amino-2-(4,5-dibromothiophen-2-yl)ethanol?
The InChIKey is XMPBBMFTPRICNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2NOS/c7-3-1-5(4(9)2-10)11-6(3)8/h1,4,10H,2,9H2.
What are the key properties of 2-amino-2-(4,5-dibromothiophen-2-yl)ethanol?
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol has a molecular weight of 301.00 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4,5-dibromothiophen-2-yl)ethanol is sourced from PubChem (CID 103846013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).