3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline

C11H17NO4S — CID 114112344

IUPAC3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline
SMILESCOCCS(=O)(=O)Cc1ccc(N)cc1OC
InChIInChI=1S/C11H17NO4S/c1-15-5-6-17(13,14)8-9-3-4-10(12)7-11(9)16-2/h3-4,7H,5-6,8,12H2,1-2H3
InChIKeyGZBRAEPREWHXQJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.84
Rot. Bonds6

About 3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline

3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline (PubChem CID 114112344) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline
PubChem CID114112344
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline
SMILESCOCCS(=O)(=O)Cc1ccc(N)cc1OC
InChIInChI=1S/C11H17NO4S/c1-15-5-6-17(13,14)8-9-3-4-10(12)7-11(9)16-2/h3-4,7H,5-6,8,12H2,1-2H3
InChIKeyGZBRAEPREWHXQJ-UHFFFAOYSA-N
XLogP0.84
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.84
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

4-methoxy-3-(3-methoxypropylsulfonylmethyl)aniline
CID 63855745
(4-amino-2-methoxyphenyl)methanesulfonic acid
CID 139537446
3-chloro-4-(3-methoxypropylsulfonylmethyl)aniline
CID 55260925
3-(2-ethylsulfonylethoxy)-4-methoxyaniline
CID 43807344
N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446245
2-(2-methoxyethylsulfonylmethyl)aniline
CID 43446202
N-[[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]methyl]ethanamine
CID 64646928
4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline
CID 107208306
4-benzyl-3-methoxyaniline
CID 22599955
[2-methoxy-5-(3-methoxypropylsulfonylmethyl)phenyl]methanamine
CID 65344155
4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 61444696
3-methoxy-4-[3-(2-methoxyethoxy)propylsulfonyl]aniline
CID 103416112

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline?
The IUPAC name of 3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline (CID 114112344) is 3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline.
What is the SMILES notation for 3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline?
The canonical SMILES for 3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline is COCCS(=O)(=O)Cc1ccc(N)cc1OC.
What is the InChIKey of 3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline?
The InChIKey is GZBRAEPREWHXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-15-5-6-17(13,14)8-9-3-4-10(12)7-11(9)16-2/h3-4,7H,5-6,8,12H2,1-2H3.
What are the key properties of 3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline?
3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline has a molecular weight of 259.33 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline is sourced from PubChem (CID 114112344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).