2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline

C11H17NO4S — CID 54414311

IUPAC2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline
SMILESCOCCS(=O)(=O)c1cc(OC)c(N)cc1C
InChIInChI=1S/C11H17NO4S/c1-8-6-9(12)10(16-3)7-11(8)17(13,14)5-4-15-2/h6-7H,4-5,12H2,1-3H3
InChIKeyVWHUVELUQGOZHV-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.01
Rot. Bonds5

About 2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline

2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline (PubChem CID 54414311) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline.

Molecular Properties

Compound Name2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline
PubChem CID54414311
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline
SMILESCOCCS(=O)(=O)c1cc(OC)c(N)cc1C
InChIInChI=1S/C11H17NO4S/c1-8-6-9(12)10(16-3)7-11(8)17(13,14)5-4-15-2/h6-7H,4-5,12H2,1-3H3
InChIKeyVWHUVELUQGOZHV-UHFFFAOYSA-N
XLogP1.01
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.01
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-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol
CID 116852786
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
4-ethyl-2-(2-methoxyethylsulfonyl)-1-methylbenzene
CID 176665808
4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium
CID 20568681
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43153258
3-(2-methoxyethylsulfonyl)-4-methylbenzoic acid
CID 43140809
4-amino-5-methoxy-2-methylbenzenesulfonate;morpholin-4-ium
CID 139080694
4-amino-2-(2-methoxyethylsulfonyl)phenol
CID 121356121
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
CID 102945974
3-(4-methoxy-2,5-dimethylphenyl)sulfonylpropanenitrile
CID 28753127

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline?
The IUPAC name of 2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline (CID 54414311) is 2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline.
What is the SMILES notation for 2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline?
The canonical SMILES for 2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline is COCCS(=O)(=O)c1cc(OC)c(N)cc1C.
What is the InChIKey of 2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline?
The InChIKey is VWHUVELUQGOZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-8-6-9(12)10(16-3)7-11(8)17(13,14)5-4-15-2/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline?
2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline has a molecular weight of 259.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline is sourced from PubChem (CID 54414311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).