N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide

C12H20N2O2S — CID 63194224

IUPACN-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-12(2,10-13)14-17(15,16)9-8-11-6-4-3-5-7-11/h3-7,14H,8-10,13H2,1-2H3
InChIKeyWRZKHHJDPLPRKV-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.89
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide

N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide (PubChem CID 63194224) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
PubChem CID63194224
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-12(2,10-13)14-17(15,16)9-8-11-6-4-3-5-7-11/h3-7,14H,8-10,13H2,1-2H3
InChIKeyWRZKHHJDPLPRKV-UHFFFAOYSA-N
XLogP0.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
CID 115310011
N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide
CID 79017328
N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide
CID 119975856
2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide
CID 113472600
N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120874886
2-ethyl-2-(2-phenylethylsulfonylamino)butanethioamide
CID 80686540
3,3,3-trifluoro-2-methyl-2-(2-phenylethylsulfonylamino)propanoic acid
CID 79790456
N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide
CID 106251290
N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide
CID 82723208
N-(1-chloro-3-methylpentan-3-yl)-2-phenylethanesulfonamide
CID 106170107
2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid
CID 43619222
N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide
CID 119975492

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide (CID 63194224) is N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide is CC(C)(CN)NS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide?
The InChIKey is WRZKHHJDPLPRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-12(2,10-13)14-17(15,16)9-8-11-6-4-3-5-7-11/h3-7,14H,8-10,13H2,1-2H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide is sourced from PubChem (CID 63194224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).