5-(diethylaminoperoxysulfanyl)-2-methoxyaniline

C11H18N2O3S — CID 22081933

IUPAC5-(diethylaminoperoxysulfanyl)-2-methoxyaniline
SMILESCCN(CC)OOSc1ccc(OC)c(N)c1
InChIInChI=1S/C11H18N2O3S/c1-4-13(5-2)15-16-17-9-6-7-11(14-3)10(12)8-9/h6-8H,4-5,12H2,1-3H3
InChIKeyGDMXCYYINNLEOF-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.49
Rot. Bonds7

About 5-(diethylaminoperoxysulfanyl)-2-methoxyaniline

5-(diethylaminoperoxysulfanyl)-2-methoxyaniline (PubChem CID 22081933) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 5-(diethylaminoperoxysulfanyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(diethylaminoperoxysulfanyl)-2-methoxyaniline
PubChem CID22081933
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name5-(diethylaminoperoxysulfanyl)-2-methoxyaniline
SMILESCCN(CC)OOSc1ccc(OC)c(N)c1
InChIInChI=1S/C11H18N2O3S/c1-4-13(5-2)15-16-17-9-6-7-11(14-3)10(12)8-9/h6-8H,4-5,12H2,1-3H3
InChIKeyGDMXCYYINNLEOF-UHFFFAOYSA-N
XLogP2.49
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 5-(diethylaminoperoxysulfanyl)-2-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-5-propylsulfanylaniline
CID 97035009
2-methoxy-5-(trifluoromethylsulfanyl)aniline
CID 155258853
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
ethyl 4-(3-amino-4-methoxyphenyl)sulfanylbenzoate
CID 91879059
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
CID 30029908
2-(4-amino-3-methoxyphenyl)sulfanylethanol
CID 63676763
2-ethoxy-5-methylsulfanylaniline
CID 97035048
5-(fluoromethyl)-2-methoxyaniline
CID 84650155
(3-amino-4-methoxyphenyl)sulfonyl N,N-diethylcarbamodithioate
CID 101047831
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481

Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminoperoxysulfanyl)-2-methoxyaniline?
The IUPAC name of 5-(diethylaminoperoxysulfanyl)-2-methoxyaniline (CID 22081933) is 5-(diethylaminoperoxysulfanyl)-2-methoxyaniline.
What is the SMILES notation for 5-(diethylaminoperoxysulfanyl)-2-methoxyaniline?
The canonical SMILES for 5-(diethylaminoperoxysulfanyl)-2-methoxyaniline is CCN(CC)OOSc1ccc(OC)c(N)c1.
What is the InChIKey of 5-(diethylaminoperoxysulfanyl)-2-methoxyaniline?
The InChIKey is GDMXCYYINNLEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-4-13(5-2)15-16-17-9-6-7-11(14-3)10(12)8-9/h6-8H,4-5,12H2,1-3H3.
What are the key properties of 5-(diethylaminoperoxysulfanyl)-2-methoxyaniline?
5-(diethylaminoperoxysulfanyl)-2-methoxyaniline has a molecular weight of 258.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminoperoxysulfanyl)-2-methoxyaniline is sourced from PubChem (CID 22081933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).