2-(2-methoxyethylsulfonylmethyl)aniline

C10H15NO3S — CID 43446202

IUPAC2-(2-methoxyethylsulfonylmethyl)aniline
SMILESCOCCS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C10H15NO3S/c1-14-6-7-15(12,13)8-9-4-2-3-5-10(9)11/h2-5H,6-8,11H2,1H3
InChIKeyRDCFHIVYYMJEIJ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.83
Rot. Bonds5

About 2-(2-methoxyethylsulfonylmethyl)aniline

2-(2-methoxyethylsulfonylmethyl)aniline (PubChem CID 43446202) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfonylmethyl)aniline.

Molecular Properties

Compound Name2-(2-methoxyethylsulfonylmethyl)aniline
PubChem CID43446202
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-(2-methoxyethylsulfonylmethyl)aniline
SMILESCOCCS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C10H15NO3S/c1-14-6-7-15(12,13)8-9-4-2-3-5-10(9)11/h2-5H,6-8,11H2,1H3
InChIKeyRDCFHIVYYMJEIJ-UHFFFAOYSA-N
XLogP0.83
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.83
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-(2-methylsulfonylethylsulfonylmethyl)aniline
CID 63660631
3-bromo-2-(2-methoxyethylsulfonylmethyl)aniline
CID 43446209
3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline
CID 114112344
2-(2-benzylsulfonylethyl)aniline
CID 62496096
N-[(2-aminophenyl)methyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290024
3-(2-methoxyethylsulfonylmethyl)pyridine-2-carbonitrile
CID 64689975
2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline
CID 167959717
CID 87855006
CID 87855006
2-[2-[(3-methylphenyl)methylsulfonyl]ethyl]aniline
CID 62772139
1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
2-(2-methoxyethylsulfinylmethyl)aniline
CID 61287219
2-ethylaniline;sulfuric acid
CID 67820112

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfonylmethyl)aniline?
The IUPAC name of 2-(2-methoxyethylsulfonylmethyl)aniline (CID 43446202) is 2-(2-methoxyethylsulfonylmethyl)aniline.
What is the SMILES notation for 2-(2-methoxyethylsulfonylmethyl)aniline?
The canonical SMILES for 2-(2-methoxyethylsulfonylmethyl)aniline is COCCS(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-methoxyethylsulfonylmethyl)aniline?
The InChIKey is RDCFHIVYYMJEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-14-6-7-15(12,13)8-9-4-2-3-5-10(9)11/h2-5H,6-8,11H2,1H3.
What are the key properties of 2-(2-methoxyethylsulfonylmethyl)aniline?
2-(2-methoxyethylsulfonylmethyl)aniline has a molecular weight of 229.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfonylmethyl)aniline is sourced from PubChem (CID 43446202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).