2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide

C13H22N2O3S — CID 79389694

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide
SMILESCCN(CC(C)(C)O)c1ccccc1S(=O)(=O)NC
InChIInChI=1S/C13H22N2O3S/c1-5-15(10-13(2,3)16)11-8-6-7-9-12(11)19(17,18)14-4/h6-9,14,16H,5,10H2,1-4H3
InChIKeySYRIUKXGOZXUKI-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.19
Rot. Bonds6

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide (PubChem CID 79389694) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide
PubChem CID79389694
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide
SMILESCCN(CC(C)(C)O)c1ccccc1S(=O)(=O)NC
InChIInChI=1S/C13H22N2O3S/c1-5-15(10-13(2,3)16)11-8-6-7-9-12(11)19(17,18)14-4/h6-9,14,16H,5,10H2,1-4H3
InChIKeySYRIUKXGOZXUKI-UHFFFAOYSA-N
XLogP1.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 79378942
1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79390069
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 79389604
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide
CID 79390626
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 79387122
1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
CID 79384049
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide
CID 106643534
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarbothioamide
CID 79379095
2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid
CID 79264806
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide
CID 79665643
1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 103959017

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide (CID 79389694) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide is CCN(CC(C)(C)O)c1ccccc1S(=O)(=O)NC.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is SYRIUKXGOZXUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-15(10-13(2,3)16)11-8-6-7-9-12(11)19(17,18)14-4/h6-9,14,16H,5,10H2,1-4H3.
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 79389694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).