N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide

C13H22N2O2S — CID 105060587

IUPACN-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC(C)(CN)c1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-11(2)9-18(16,17)15-13(3,10-14)12-7-5-4-6-8-12/h4-8,11,15H,9-10,14H2,1-3H3
InChIKeyLGBFYQFQDXUROM-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.44
Rot. Bonds6

About N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide

N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide (PubChem CID 105060587) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide
PubChem CID105060587
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC(C)(CN)c1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-11(2)9-18(16,17)15-13(3,10-14)12-7-5-4-6-8-12/h4-8,11,15H,9-10,14H2,1-3H3
InChIKeyLGBFYQFQDXUROM-UHFFFAOYSA-N
XLogP1.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide
CID 105060592
N-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide
CID 105060601
N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686091
N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 105060564
N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide
CID 105060280
N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide
CID 115309921
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
CID 115310011
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(1-amino-2-phenylpropan-2-yl)heptanamide
CID 105060397

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide (CID 105060587) is N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NC(C)(CN)c1ccccc1.
What is the InChIKey of N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide?
The InChIKey is LGBFYQFQDXUROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-11(2)9-18(16,17)15-13(3,10-14)12-7-5-4-6-8-12/h4-8,11,15H,9-10,14H2,1-3H3.
What are the key properties of N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide?
N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.44, 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-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 105060587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).