2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide

C13H22N2O2S — CID 115690814

IUPAC2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide
SMILESCC(C)(CCc1ccccc1)NCCS(N)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-13(2,15-10-11-18(14,16)17)9-8-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3,(H2,14,16,17)
InChIKeyAWRGENPGAUTXSS-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.28
Rot. Bonds7

About 2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide

2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide (PubChem CID 115690814) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide
PubChem CID115690814
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide
SMILESCC(C)(CCc1ccccc1)NCCS(N)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-13(2,15-10-11-18(14,16)17)9-8-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3,(H2,14,16,17)
InChIKeyAWRGENPGAUTXSS-UHFFFAOYSA-N
XLogP1.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide
CID 103822680
2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide
CID 114385306
N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
CID 113231354
N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
CID 115997324
2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948
2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide
CID 113472600
potassium;hydride;2-phenylethanesulfonamide
CID 173120901
2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 115690821
2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807
3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
CID 12855751
2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile
CID 106709606

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide (CID 115690814) is 2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide is CC(C)(CCc1ccccc1)NCCS(N)(=O)=O.
What is the InChIKey of 2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide?
The InChIKey is AWRGENPGAUTXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-13(2,15-10-11-18(14,16)17)9-8-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3,(H2,14,16,17).
What are the key properties of 2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide?
2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide is sourced from PubChem (CID 115690814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).