1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine

C12H19NO2S2 — CID 54932119

IUPAC1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCSc1ccc(C(C)NCCS(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO2S2/c1-10(13-8-9-17(3,14)15)11-4-6-12(16-2)7-5-11/h4-7,10,13H,8-9H2,1-3H3
InChIKeyNIDRAMUZLDYJKH-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.10
Rot. Bonds6

About 1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine

1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 54932119) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine
PubChem CID54932119
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC Name1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCSc1ccc(C(C)NCCS(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO2S2/c1-10(13-8-9-17(3,14)15)11-4-6-12(16-2)7-5-11/h4-7,10,13H,8-9H2,1-3H3
InChIKeyNIDRAMUZLDYJKH-UHFFFAOYSA-N
XLogP2.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 81371404
3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine
CID 43193079
N'-[1-(4-methylsulfanylphenyl)ethyl]propane-1,3-diamine
CID 60890077
3-(4-methylpiperazin-1-yl)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 43106395
1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82994028
(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
CID 81347805
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide
CID 103912645
1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54943643
1-(4-methylsulfanylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63241921
1-methyl-3-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea
CID 97212635
3-methylsulfonyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81410572
N,N-dimethyl-4-[1-(3-methylsulfonylpropylamino)ethyl]aniline
CID 54904902

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine (CID 54932119) is 1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine is CSc1ccc(C(C)NCCS(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is NIDRAMUZLDYJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-10(13-8-9-17(3,14)15)11-4-6-12(16-2)7-5-11/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine?
1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 273.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 54932119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).