2-(1-methoxy-2-methylsulfonylethyl)aniline

C10H15NO3S — CID 14265895

IUPAC2-(1-methoxy-2-methylsulfonylethyl)aniline
SMILESCOC(CS(C)(=O)=O)c1ccccc1N
InChIInChI=1S/C10H15NO3S/c1-14-10(7-15(2,12)13)8-5-3-4-6-9(8)11/h3-6,10H,7,11H2,1-2H3
InChIKeyUXKQTQGNXNNCBC-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.00
Rot. Bonds4

About 2-(1-methoxy-2-methylsulfonylethyl)aniline

2-(1-methoxy-2-methylsulfonylethyl)aniline (PubChem CID 14265895) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-(1-methoxy-2-methylsulfonylethyl)aniline.

Molecular Properties

Compound Name2-(1-methoxy-2-methylsulfonylethyl)aniline
PubChem CID14265895
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-(1-methoxy-2-methylsulfonylethyl)aniline
SMILESCOC(CS(C)(=O)=O)c1ccccc1N
InChIInChI=1S/C10H15NO3S/c1-14-10(7-15(2,12)13)8-5-3-4-6-9(8)11/h3-6,10H,7,11H2,1-2H3
InChIKeyUXKQTQGNXNNCBC-UHFFFAOYSA-N
XLogP1.00
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylsulfonylpropan-2-yl)aniline
CID 115028443
2-(1-aminoethyl)aniline;sulfuric acid
CID 67830169
(1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine
CID 94451404
methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate
CID 54952516
methyl 3-methylsulfonyl-2-phenylpropanoate
CID 64560571
[2-(2-aminophenyl)-2-(oxan-2-yloxy)ethyl] methanesulfonate
CID 18003684
(2-methylsulfonyl-1-phenylethyl)benzene
CID 23546848
N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide
CID 43298052
(1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol
CID 101339254
2-(2-methoxy-2-phenylethyl)aniline
CID 10082459
4-(1-methoxypropyl)azulene-1-sulfonic acid
CID 88671514
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
CID 105035305

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2-methylsulfonylethyl)aniline?
The IUPAC name of 2-(1-methoxy-2-methylsulfonylethyl)aniline (CID 14265895) is 2-(1-methoxy-2-methylsulfonylethyl)aniline.
What is the SMILES notation for 2-(1-methoxy-2-methylsulfonylethyl)aniline?
The canonical SMILES for 2-(1-methoxy-2-methylsulfonylethyl)aniline is COC(CS(C)(=O)=O)c1ccccc1N.
What is the InChIKey of 2-(1-methoxy-2-methylsulfonylethyl)aniline?
The InChIKey is UXKQTQGNXNNCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-14-10(7-15(2,12)13)8-5-3-4-6-9(8)11/h3-6,10H,7,11H2,1-2H3.
What are the key properties of 2-(1-methoxy-2-methylsulfonylethyl)aniline?
2-(1-methoxy-2-methylsulfonylethyl)aniline has a molecular weight of 229.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2-methylsulfonylethyl)aniline is sourced from PubChem (CID 14265895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).