5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide

C15H26N2O3S — CID 81401246

IUPAC5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide
SMILESCCC(CC)(CO)CNc1ccc(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C15H26N2O3S/c1-5-15(6-2,11-18)10-17-13-8-7-12(3)14(9-13)21(19,20)16-4/h7-9,16-18H,5-6,10-11H2,1-4H3
InChIKeyIYIGAUGEOGISDV-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.11
Rot. Bonds8

About 5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide

5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide (PubChem CID 81401246) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide
PubChem CID81401246
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide
SMILESCCC(CC)(CO)CNc1ccc(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C15H26N2O3S/c1-5-15(6-2,11-18)10-17-13-8-7-12(3)14(9-13)21(19,20)16-4/h7-9,16-18H,5-6,10-11H2,1-4H3
InChIKeyIYIGAUGEOGISDV-UHFFFAOYSA-N
XLogP2.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide
CID 81413513
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
CID 103844815
5-[2-(tert-butylamino)ethylamino]-N,2-dimethylbenzenesulfonamide
CID 107445081
(3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 8893593
5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717522
2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol
CID 81411803
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605
N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
CID 43717495
5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 66387661
5-(chloromethylsulfonylamino)-N,2-dimethylbenzenesulfonamide
CID 63664896
(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 79024115
5-amino-4-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbenzenesulfonamide
CID 106249898

Frequently Asked Questions

What is the IUPAC name of 5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide (CID 81401246) is 5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide is CCC(CC)(CO)CNc1ccc(C)c(S(=O)(=O)NC)c1.
What is the InChIKey of 5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide?
The InChIKey is IYIGAUGEOGISDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-15(6-2,11-18)10-17-13-8-7-12(3)14(9-13)21(19,20)16-4/h7-9,16-18H,5-6,10-11H2,1-4H3.
What are the key properties of 5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide?
5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 81401246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).