2-(2-methoxyethylsulfinyl)aniline

C9H13NO2S — CID 61369378

IUPAC2-(2-methoxyethylsulfinyl)aniline
SMILESCOCCS(=O)c1ccccc1N
InChIInChI=1S/C9H13NO2S/c1-12-6-7-13(11)9-5-3-2-4-8(9)10/h2-5H,6-7,10H2,1H3
InChIKeyQAAOUKGHGJELDY-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.02
Rot. Bonds4

About 2-(2-methoxyethylsulfinyl)aniline

2-(2-methoxyethylsulfinyl)aniline (PubChem CID 61369378) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfinyl)aniline.

Molecular Properties

Compound Name2-(2-methoxyethylsulfinyl)aniline
PubChem CID61369378
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-(2-methoxyethylsulfinyl)aniline
SMILESCOCCS(=O)c1ccccc1N
InChIInChI=1S/C9H13NO2S/c1-12-6-7-13(11)9-5-3-2-4-8(9)10/h2-5H,6-7,10H2,1H3
InChIKeyQAAOUKGHGJELDY-UHFFFAOYSA-N
XLogP1.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfinyl)aniline?
The IUPAC name of 2-(2-methoxyethylsulfinyl)aniline (CID 61369378) is 2-(2-methoxyethylsulfinyl)aniline.
What is the SMILES notation for 2-(2-methoxyethylsulfinyl)aniline?
The canonical SMILES for 2-(2-methoxyethylsulfinyl)aniline is COCCS(=O)c1ccccc1N.
What is the InChIKey of 2-(2-methoxyethylsulfinyl)aniline?
The InChIKey is QAAOUKGHGJELDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-12-6-7-13(11)9-5-3-2-4-8(9)10/h2-5H,6-7,10H2,1H3.
What are the key properties of 2-(2-methoxyethylsulfinyl)aniline?
2-(2-methoxyethylsulfinyl)aniline has a molecular weight of 199.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfinyl)aniline is sourced from PubChem (CID 61369378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).