2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline

C11H17NO2S — CID 81184073

IUPAC2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline
SMILESCOCC(C)S(=O)c1cc(C)ccc1N
InChIInChI=1S/C11H17NO2S/c1-8-4-5-10(12)11(6-8)15(13)9(2)7-14-3/h4-6,9H,7,12H2,1-3H3
InChIKeyJQRYZNGYXRYMOY-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.72
Rot. Bonds4

About 2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline

2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline (PubChem CID 81184073) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline
PubChem CID81184073
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline
SMILESCOCC(C)S(=O)c1cc(C)ccc1N
InChIInChI=1S/C11H17NO2S/c1-8-4-5-10(12)11(6-8)15(13)9(2)7-14-3/h4-6,9H,7,12H2,1-3H3
InChIKeyJQRYZNGYXRYMOY-UHFFFAOYSA-N
XLogP1.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.72
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

5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline
CID 81186024
4-fluoro-2-(4-methoxybutan-2-ylsulfinyl)aniline
CID 116500568
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline
CID 104568936
2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide
CID 81183646
4-methyl-2-(2,2,2-trifluoroethylsulfinyl)aniline
CID 81182795
2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
CID 81207237
2-(cyclopropylmethylsulfinyl)-4-methylaniline
CID 81183554
2-(3-methoxypropoxy)-4-methylaniline
CID 26189547
4-methyl-2-octylsulfinylaniline
CID 81184058
2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide
CID 81183802
3-(2-amino-5-methylphenoxy)-2-methylpropanamide
CID 43311815
2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline
CID 81183128

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline?
The IUPAC name of 2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline (CID 81184073) is 2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline.
What is the SMILES notation for 2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline?
The canonical SMILES for 2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline is COCC(C)S(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline?
The InChIKey is JQRYZNGYXRYMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8-4-5-10(12)11(6-8)15(13)9(2)7-14-3/h4-6,9H,7,12H2,1-3H3.
What are the key properties of 2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline?
2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline has a molecular weight of 227.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline is sourced from PubChem (CID 81184073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).