(1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine

C12H19NO3S — CID 81371404

IUPAC(1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCOc1ccc([C@H](C)NCCS(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO3S/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/t10-/m0/s1
InChIKeyFSTYKVISNGRLDF-JTQLQIEISA-N
MW257.35 g/mol
LogP1.39
Rot. Bonds6

About (1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine

(1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 81371404) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
PubChem CID81371404
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name(1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCOc1ccc([C@H](C)NCCS(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO3S/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/t10-/m0/s1
InChIKeyFSTYKVISNGRLDF-JTQLQIEISA-N
XLogP1.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 54932119
1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82994028
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103710433
N-[(1S)-1-(4-methoxyphenyl)ethyl]but-3-yn-1-amine
CID 81370404
N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43191156
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79559232
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 81371134
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylsulfonylbutanamide
CID 81368689

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine (CID 81371404) is (1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine is COc1ccc([C@H](C)NCCS(C)(=O)=O)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is FSTYKVISNGRLDF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO3S/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/t10-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine?
(1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 257.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 81371404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).