4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide

C13H20N2O2S — CID 51226899

IUPAC4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
SMILESC=C(C)CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(2)9-15(4)11(3)12-5-7-13(8-6-12)18(14,16)17/h5-8,11H,1,9H2,2-4H3,(H2,14,16,17)
InChIKeyDWTPUTMCLCIJQF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.90
Rot. Bonds5

About 4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide

4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide (PubChem CID 51226899) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
PubChem CID51226899
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
SMILESC=C(C)CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(2)9-15(4)11(3)12-5-7-13(8-6-12)18(14,16)17/h5-8,11H,1,9H2,2-4H3,(H2,14,16,17)
InChIKeyDWTPUTMCLCIJQF-UHFFFAOYSA-N
XLogP1.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 94343786
N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 14958608
N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 55412917
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 47141179
4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 35886708
4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615150
4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide
CID 35886705
N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 46809997
2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87013804
2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 47010656
4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide
CID 55412916
4-N,4-N-diethyl-1-N-methyl-1-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzene-1,4-disulfonamide
CID 30963940

Frequently Asked Questions

What is the IUPAC name of 4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide (CID 51226899) is 4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide is C=C(C)CN(C)C(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide?
The InChIKey is DWTPUTMCLCIJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(2)9-15(4)11(3)12-5-7-13(8-6-12)18(14,16)17/h5-8,11H,1,9H2,2-4H3,(H2,14,16,17).
What are the key properties of 4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide?
4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 51226899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).