2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine

C13H14BrNO2S2 — CID 115847759

IUPAC2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1cccc(C(N)Cc2cc(Br)cs2)c1
InChIInChI=1S/C13H14BrNO2S2/c1-19(16,17)12-4-2-3-9(5-12)13(15)7-11-6-10(14)8-18-11/h2-6,8,13H,7,15H2,1H3
InChIKeyRLFRZWHENGHJDQ-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.16
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine

2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine (PubChem CID 115847759) has the molecular formula C13H14BrNO2S2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine
PubChem CID115847759
Molecular FormulaC13H14BrNO2S2
Molecular Weight360.30 g/mol
Exact Mass358.96
IUPAC Name2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1cccc(C(N)Cc2cc(Br)cs2)c1
InChIInChI=1S/C13H14BrNO2S2/c1-19(16,17)12-4-2-3-9(5-12)13(15)7-11-6-10(14)8-18-11/h2-6,8,13H,7,15H2,1H3
InChIKeyRLFRZWHENGHJDQ-UHFFFAOYSA-N
XLogP3.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 105015570
2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 105036748
1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015051
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
2-(4-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115788166
2-(3-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115790732
(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
CID 127264657
2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115795669
2-methoxy-1-(3-methylsulfonylphenyl)ethanamine
CID 112693329
3-amino-3-(3-methylsulfonylphenyl)propanoic acid
CID 117359940
2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine
CID 115847281
2-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62599879

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine (CID 115847759) is 2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine is CS(=O)(=O)c1cccc(C(N)Cc2cc(Br)cs2)c1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine?
The InChIKey is RLFRZWHENGHJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2S2/c1-19(16,17)12-4-2-3-9(5-12)13(15)7-11-6-10(14)8-18-11/h2-6,8,13H,7,15H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine?
2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine has a molecular weight of 360.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 115847759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).