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

C13H22N2O2S — CID 81182264

IUPAC4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline
SMILESCCN(CC)CCS(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C13H22N2O2S/c1-4-15(5-2)8-9-18(16,17)12-6-7-13(14)11(3)10-12/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeyUVJCXFNZNVOPEH-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.69
Rot. Bonds6

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

4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline (PubChem CID 81182264) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline
PubChem CID81182264
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline
SMILESCCN(CC)CCS(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C13H22N2O2S/c1-4-15(5-2)8-9-18(16,17)12-6-7-13(14)11(3)10-12/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeyUVJCXFNZNVOPEH-UHFFFAOYSA-N
XLogP1.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethylsulfonylethylsulfonyl)-2-methylaniline
CID 81181679
4-(2-ethoxyethylsulfonyl)-2-methylaniline
CID 81181513
4-(3-ethoxypropylsulfonyl)-2-methylaniline
CID 81182343
3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide
CID 81182424
2-bromo-5-[2-(diethylamino)ethylsulfonyl]benzoic acid
CID 43140621
2-methyl-4-(2-methylpropylsulfonyl)aniline
CID 81182256
4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 113468571
4-[2-(2-methoxyethoxy)ethylsulfonyl]-2-methylaniline
CID 81182090
2-methyl-4-(2-pyrazol-1-ylethylsulfonyl)aniline
CID 81182267
N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine
CID 114231205
2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide
CID 81182333
4-benzylsulfonyl-2-methylaniline
CID 81182009

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline?
The IUPAC name of 4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline (CID 81182264) is 4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline.
What is the SMILES notation for 4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline?
The canonical SMILES for 4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline is CCN(CC)CCS(=O)(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline?
The InChIKey is UVJCXFNZNVOPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-15(5-2)8-9-18(16,17)12-6-7-13(14)11(3)10-12/h6-7,10H,4-5,8-9,14H2,1-3H3.
What are the key properties of 4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline?
4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline has a molecular weight of 270.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline is sourced from PubChem (CID 81182264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).