1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine

C9H14BrNO2S2 — CID 79992082

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine
SMILESCNC(CS(C)(=O)=O)c1cc(C)c(Br)s1
InChIInChI=1S/C9H14BrNO2S2/c1-6-4-8(14-9(6)10)7(11-2)5-15(3,12)13/h4,7,11H,5H2,1-3H3
InChIKeySNLLIWFIHFWBLI-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.12
Rot. Bonds4

About 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine

1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine (PubChem CID 79992082) has the molecular formula C9H14BrNO2S2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine
PubChem CID79992082
Molecular FormulaC9H14BrNO2S2
Molecular Weight312.25 g/mol
Exact Mass310.96
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine
SMILESCNC(CS(C)(=O)=O)c1cc(C)c(Br)s1
InChIInChI=1S/C9H14BrNO2S2/c1-6-4-8(14-9(6)10)7(11-2)5-15(3,12)13/h4,7,11H,5H2,1-3H3
InChIKeySNLLIWFIHFWBLI-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine
CID 79991964
2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene
CID 79991912
1-(5-bromo-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 115865174
1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine
CID 79991435
[1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114985173
N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine
CID 62473459
N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 62786079
N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine
CID 130143336
2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine
CID 115844430
1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036072
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine
CID 105000198
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002532

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine (CID 79992082) is 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine is CNC(CS(C)(=O)=O)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine?
The InChIKey is SNLLIWFIHFWBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2S2/c1-6-4-8(14-9(6)10)7(11-2)5-15(3,12)13/h4,7,11H,5H2,1-3H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine?
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine has a molecular weight of 312.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 79992082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).