5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

C13H20N2O2S — CID 113498553

IUPAC5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)c1cc(N)ccc1CC
InChIInChI=1S/C13H20N2O2S/c1-5-11-6-7-12(14)8-13(11)18(16,17)15(4)9-10(2)3/h6-8H,2,5,9,14H2,1,3-4H3
InChIKeyBKEKRSDKRYSRPO-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.03
Rot. Bonds5

About 5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 113498553) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID113498553
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)c1cc(N)ccc1CC
InChIInChI=1S/C13H20N2O2S/c1-5-11-6-7-12(14)8-13(11)18(16,17)15(4)9-10(2)3/h6-8H,2,5,9,14H2,1,3-4H3
InChIKeyBKEKRSDKRYSRPO-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333305
5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114748
5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
CID 43256238
5-amino-N,N,2-triethylbenzenesulfonamide
CID 43255626
5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615046
5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587392
2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114283
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
3-[(2-amino-2-oxoethyl)-methylsulfamoyl]-4-ethylbenzoic acid
CID 43374042
5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 61113686
2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113498561
5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741698

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 113498553) is 5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CN(C)S(=O)(=O)c1cc(N)ccc1CC.
What is the InChIKey of 5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is BKEKRSDKRYSRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-5-11-6-7-12(14)8-13(11)18(16,17)15(4)9-10(2)3/h6-8H,2,5,9,14H2,1,3-4H3.
What are the key properties of 5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 113498553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).