3-(2-ethylsulfinylethoxy)aniline

C10H15NO2S — CID 61303448

IUPAC3-(2-ethylsulfinylethoxy)aniline
SMILESCCS(=O)CCOc1cccc(N)c1
InChIInChI=1S/C10H15NO2S/c1-2-14(12)7-6-13-10-5-3-4-9(11)8-10/h3-5,8H,2,6-7,11H2,1H3
InChIKeyFRMLTAZXXPOPLV-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.42
Rot. Bonds5

About 3-(2-ethylsulfinylethoxy)aniline

3-(2-ethylsulfinylethoxy)aniline (PubChem CID 61303448) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-(2-ethylsulfinylethoxy)aniline.

Molecular Properties

Compound Name3-(2-ethylsulfinylethoxy)aniline
PubChem CID61303448
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3-(2-ethylsulfinylethoxy)aniline
SMILESCCS(=O)CCOc1cccc(N)c1
InChIInChI=1S/C10H15NO2S/c1-2-14(12)7-6-13-10-5-3-4-9(11)8-10/h3-5,8H,2,6-7,11H2,1H3
InChIKeyFRMLTAZXXPOPLV-UHFFFAOYSA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-methylphenyl)sulfinylethoxy]aniline
CID 61303191
3-[2-(3-methylphenyl)sulfinylethoxy]aniline
CID 61288690
3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline
CID 61302237
4-(3-ethylsulfinylpropoxy)aniline
CID 61303630
3-(3-propoxypropoxy)aniline
CID 43247836
3-[2-(ethylsulfamoylamino)ethoxy]aniline
CID 114804647
3-(3-ethylsulfinylpropoxy)benzonitrile
CID 64692110
3-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 6502498
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
3-[2-(2,3-dihydro-1H-inden-5-ylsulfinyl)ethoxy]aniline
CID 61288016
3-[2-(4-nitrophenyl)sulfinylethoxy]aniline
CID 61289040
3-(3-ethylsulfanylpropoxy)aniline
CID 43366378

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfinylethoxy)aniline?
The IUPAC name of 3-(2-ethylsulfinylethoxy)aniline (CID 61303448) is 3-(2-ethylsulfinylethoxy)aniline.
What is the SMILES notation for 3-(2-ethylsulfinylethoxy)aniline?
The canonical SMILES for 3-(2-ethylsulfinylethoxy)aniline is CCS(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(2-ethylsulfinylethoxy)aniline?
The InChIKey is FRMLTAZXXPOPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-14(12)7-6-13-10-5-3-4-9(11)8-10/h3-5,8H,2,6-7,11H2,1H3.
What are the key properties of 3-(2-ethylsulfinylethoxy)aniline?
3-(2-ethylsulfinylethoxy)aniline has a molecular weight of 213.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfinylethoxy)aniline is sourced from PubChem (CID 61303448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).