2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline

C13H22N2OS — CID 81183128

IUPAC2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline
SMILESCCN(CC)CCS(=O)c1cc(C)ccc1N
InChIInChI=1S/C13H22N2OS/c1-4-15(5-2)8-9-17(16)13-10-11(3)6-7-12(13)14/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeyOZZYMRQQUGENIO-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.03
Rot. Bonds6

About 2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline

2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline (PubChem CID 81183128) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline
PubChem CID81183128
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline
SMILESCCN(CC)CCS(=O)c1cc(C)ccc1N
InChIInChI=1S/C13H22N2OS/c1-4-15(5-2)8-9-17(16)13-10-11(3)6-7-12(13)14/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeyOZZYMRQQUGENIO-UHFFFAOYSA-N
XLogP2.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.03
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

4-methyl-2-octylsulfinylaniline
CID 81184058
6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol
CID 107707411
3-bromo-4-[2-(diethylamino)ethylsulfinyl]aniline
CID 82834840
4-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfinyl]aniline
CID 82891689
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline
CID 104568936
4-methyl-2-(2,2,2-trifluoroethylsulfinyl)aniline
CID 81182795
2-(cyclopropylmethylsulfinyl)-4-methylaniline
CID 81183554
2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide
CID 81183802
4-chloro-2-propylsulfinylaniline
CID 81180931
2-[(5-fluoro-2-methylphenyl)methylsulfinyl]-4-methylaniline
CID 105376353
2-[(2-bromo-5-methoxyphenyl)methylsulfinyl]-4-methylaniline
CID 81182959
4-bromo-2-[3-(dimethylamino)propylsulfinyl]aniline
CID 114526931

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline?
The IUPAC name of 2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline (CID 81183128) is 2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline is CCN(CC)CCS(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline?
The InChIKey is OZZYMRQQUGENIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-15(5-2)8-9-17(16)13-10-11(3)6-7-12(13)14/h6-7,10H,4-5,8-9,14H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline?
2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline has a molecular weight of 254.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline is sourced from PubChem (CID 81183128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).