(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine

C7H9Br2NO2S2 — CID 130055149

IUPAC(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)C[C@H](N)c1cc(Br)c(Br)s1
InChIInChI=1S/C7H9Br2NO2S2/c1-14(11,12)3-5(10)6-2-4(8)7(9)13-6/h2,5H,3,10H2,1H3/t5-/m0/s1
InChIKeyCXLBPTHDUDCYLR-YFKPBYRVSA-N
MW363.10 g/mol
LogP2.32
Rot. Bonds3

About (1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine

(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine (PubChem CID 130055149) has the molecular formula C7H9Br2NO2S2 and a molecular weight of 363.10 g/mol. Its IUPAC name is (1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine.

Molecular Properties

Compound Name(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
PubChem CID130055149
Molecular FormulaC7H9Br2NO2S2
Molecular Weight363.10 g/mol
Exact Mass360.84
IUPAC Name(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)C[C@H](N)c1cc(Br)c(Br)s1
InChIInChI=1S/C7H9Br2NO2S2/c1-14(11,12)3-5(10)6-2-4(8)7(9)13-6/h2,5H,3,10H2,1H3/t5-/m0/s1
InChIKeyCXLBPTHDUDCYLR-YFKPBYRVSA-N
XLogP2.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.10
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
(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)-3-methylbutan-1-amine
CID 131013810
1-(4,5-dibromothiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 80532967
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171215570
1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine
CID 105037154
(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
6-amino-6-(4,5-dibromothiophen-2-yl)hexanoic acid
CID 80535411
1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine
CID 105005773

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine?
The IUPAC name of (1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine (CID 130055149) is (1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine.
What is the SMILES notation for (1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine?
The canonical SMILES for (1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine is CS(=O)(=O)C[C@H](N)c1cc(Br)c(Br)s1.
What is the InChIKey of (1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine?
The InChIKey is CXLBPTHDUDCYLR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9Br2NO2S2/c1-14(11,12)3-5(10)6-2-4(8)7(9)13-6/h2,5H,3,10H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine?
(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine has a molecular weight of 363.10 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine is sourced from PubChem (CID 130055149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).