1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine

C12H14N2O2S2 — CID 105015051

IUPAC1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCS(=O)(=O)c1cccc(C(N)Cc2nccs2)c1
InChIInChI=1S/C12H14N2O2S2/c1-18(15,16)10-4-2-3-9(7-10)11(13)8-12-14-5-6-17-12/h2-7,11H,8,13H2,1H3
InChIKeyOOHWHOXWXUJWJR-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.79
Rot. Bonds4

About 1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine

1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 105015051) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID105015051
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCS(=O)(=O)c1cccc(C(N)Cc2nccs2)c1
InChIInChI=1S/C12H14N2O2S2/c1-18(15,16)10-4-2-3-9(7-10)11(13)8-12-14-5-6-17-12/h2-7,11H,8,13H2,1H3
InChIKeyOOHWHOXWXUJWJR-UHFFFAOYSA-N
XLogP1.79
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79020836
2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115847759
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
2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 105036748
3-amino-3-(3-methylsulfonylphenyl)propanoic acid
CID 117359940
2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 105015570
1-(3-methylsulfonylphenyl)-4-phenylbutan-1-amine
CID 115849458

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 105015051) is 1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine is CS(=O)(=O)c1cccc(C(N)Cc2nccs2)c1.
What is the InChIKey of 1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is OOHWHOXWXUJWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-18(15,16)10-4-2-3-9(7-10)11(13)8-12-14-5-6-17-12/h2-7,11H,8,13H2,1H3.
What are the key properties of 1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 282.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105015051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).