1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine

C9H14BrNO2S2 — CID 107167355

IUPAC1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCC(NCCS(C)(=O)=O)c1cc(Br)cs1
InChIInChI=1S/C9H14BrNO2S2/c1-7(9-5-8(10)6-14-9)11-3-4-15(2,12)13/h5-7,11H,3-4H2,1-2H3
InChIKeyAYGQGAGDULAJMC-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.21
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine

1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 107167355) has the molecular formula C9H14BrNO2S2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine
PubChem CID107167355
Molecular FormulaC9H14BrNO2S2
Molecular Weight312.25 g/mol
Exact Mass310.96
IUPAC Name1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCC(NCCS(C)(=O)=O)c1cc(Br)cs1
InChIInChI=1S/C9H14BrNO2S2/c1-7(9-5-8(10)6-14-9)11-3-4-15(2,12)13/h5-7,11H,3-4H2,1-2H3
InChIKeyAYGQGAGDULAJMC-UHFFFAOYSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine with MolForge

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107167150
3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 107167314
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
3-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 107167370
N-[1-(4-bromothiophen-2-yl)ethyl]-5-methylsulfanylpentan-1-amine
CID 107167863
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82773613
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine
CID 107354393
N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 107354221
1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
CID 107353847
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine
CID 79849781

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine (CID 107167355) is 1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine is CC(NCCS(C)(=O)=O)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is AYGQGAGDULAJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2S2/c1-7(9-5-8(10)6-14-9)11-3-4-15(2,12)13/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine?
1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 312.25 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 107167355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).