1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine

C7H10BrNO2S2 — CID 80534875

IUPAC1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CC(N)c1sccc1Br
InChIInChI=1S/C7H10BrNO2S2/c1-13(10,11)4-6(9)7-5(8)2-3-12-7/h2-3,6H,4,9H2,1H3
InChIKeyLREJHFMQACFCLK-UHFFFAOYSA-N
MW284.20 g/mol
LogP1.55
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine

1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine (PubChem CID 80534875) has the molecular formula C7H10BrNO2S2 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
PubChem CID80534875
Molecular FormulaC7H10BrNO2S2
Molecular Weight284.20 g/mol
Exact Mass282.93
IUPAC Name1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CC(N)c1sccc1Br
InChIInChI=1S/C7H10BrNO2S2/c1-13(10,11)4-6(9)7-5(8)2-3-12-7/h2-3,6H,4,9H2,1H3
InChIKeyLREJHFMQACFCLK-UHFFFAOYSA-N
XLogP1.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055235
(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine
CID 130055070
(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride
CID 171230637
1-(3-bromothiophen-2-yl)tridecan-1-amine
CID 115846566
2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102840919
(3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide
CID 115380713
1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848103
1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 115380506
(3S)-3-amino-3-(3-bromothiophen-2-yl)propanenitrile
CID 131189229
ethyl (3S)-3-amino-3-(3-bromothiophen-2-yl)propanoate;hydrochloride
CID 171230640
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
5-amino-5-(3-bromothiophen-2-yl)-3,3-dimethylpentanoic acid
CID 80536071

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine (CID 80534875) is 1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine is CS(=O)(=O)CC(N)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine?
The InChIKey is LREJHFMQACFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO2S2/c1-13(10,11)4-6(9)7-5(8)2-3-12-7/h2-3,6H,4,9H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine?
1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine has a molecular weight of 284.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine is sourced from PubChem (CID 80534875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).