2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide

C13H22N2O3S — CID 79382041

IUPAC2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C13H22N2O3S/c1-5-15(9-13(3,4)16)19(17,18)12-10(2)7-6-8-11(12)14/h6-8,16H,5,9,14H2,1-4H3
InChIKeyJSXXKOQIUUKZHX-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.36
Rot. Bonds5

About 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide

2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide (PubChem CID 79382041) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
PubChem CID79382041
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C13H22N2O3S/c1-5-15(9-13(3,4)16)19(17,18)12-10(2)7-6-8-11(12)14/h6-8,16H,5,9,14H2,1-4H3
InChIKeyJSXXKOQIUUKZHX-UHFFFAOYSA-N
XLogP1.36
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide (CID 79382041) is 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide?
The InChIKey is JSXXKOQIUUKZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-15(9-13(3,4)16)19(17,18)12-10(2)7-6-8-11(12)14/h6-8,16H,5,9,14H2,1-4H3.
What are the key properties of 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide?
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 79382041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).