2-(2-methylsulfonylethylsulfonylmethyl)aniline

C10H15NO4S2 — CID 63660631

IUPAC2-(2-methylsulfonylethylsulfonylmethyl)aniline
SMILESCS(=O)(=O)CCS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C10H15NO4S2/c1-16(12,13)6-7-17(14,15)8-9-4-2-3-5-10(9)11/h2-5H,6-8,11H2,1H3
InChIKeyZRBPZTAUTAKNME-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.23
Rot. Bonds5

About 2-(2-methylsulfonylethylsulfonylmethyl)aniline

2-(2-methylsulfonylethylsulfonylmethyl)aniline (PubChem CID 63660631) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfonylmethyl)aniline.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfonylmethyl)aniline
PubChem CID63660631
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name2-(2-methylsulfonylethylsulfonylmethyl)aniline
SMILESCS(=O)(=O)CCS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C10H15NO4S2/c1-16(12,13)6-7-17(14,15)8-9-4-2-3-5-10(9)11/h2-5H,6-8,11H2,1H3
InChIKeyZRBPZTAUTAKNME-UHFFFAOYSA-N
XLogP0.23
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine
CID 64698409
2-(2-methoxyethylsulfonylmethyl)aniline
CID 43446202
CID 87855006
CID 87855006
2-ethylaniline;sulfuric acid
CID 67820112
3-chloro-2-(2-methylsulfonylethylsulfonylmethyl)aniline
CID 55242259
methyl 2-[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]acetate
CID 115461314
2-(2-benzylsulfonylethyl)aniline
CID 62496096
1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
2-[2-(2-methylsulfonylethylsulfinyl)ethyl]aniline
CID 63659056
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfonylmethyl)aniline?
The IUPAC name of 2-(2-methylsulfonylethylsulfonylmethyl)aniline (CID 63660631) is 2-(2-methylsulfonylethylsulfonylmethyl)aniline.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfonylmethyl)aniline?
The canonical SMILES for 2-(2-methylsulfonylethylsulfonylmethyl)aniline is CS(=O)(=O)CCS(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-methylsulfonylethylsulfonylmethyl)aniline?
The InChIKey is ZRBPZTAUTAKNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-16(12,13)6-7-17(14,15)8-9-4-2-3-5-10(9)11/h2-5H,6-8,11H2,1H3.
What are the key properties of 2-(2-methylsulfonylethylsulfonylmethyl)aniline?
2-(2-methylsulfonylethylsulfonylmethyl)aniline has a molecular weight of 277.37 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfonylmethyl)aniline is sourced from PubChem (CID 63660631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).