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

C12H20N2O2S — CID 105060601

IUPACN-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)(CN)c1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-3-9-17(15,16)14-12(2,10-13)11-7-5-4-6-8-11/h4-8,14H,3,9-10,13H2,1-2H3
InChIKeyHMHLLCWORVISIG-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.19
Rot. Bonds6

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

N-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide (PubChem CID 105060601) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide
PubChem CID105060601
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)(CN)c1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-3-9-17(15,16)14-12(2,10-13)11-7-5-4-6-8-11/h4-8,14H,3,9-10,13H2,1-2H3
InChIKeyHMHLLCWORVISIG-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
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-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide
CID 105060280
N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide
CID 105060587
N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 105060564
N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
N-(1-amino-2-phenylpropan-2-yl)heptanamide
CID 105060397
N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide
CID 119975856
N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide
CID 105060471
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
CID 115310011
N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105060436
2-phenylhexan-2-ylurea
CID 121306915
N-(1-amino-2-phenylpropan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 105060394

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide?
The IUPAC name of N-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide (CID 105060601) is N-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC(C)(CN)c1ccccc1.
What is the InChIKey of N-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide?
The InChIKey is HMHLLCWORVISIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-9-17(15,16)14-12(2,10-13)11-7-5-4-6-8-11/h4-8,14H,3,9-10,13H2,1-2H3.
What are the key properties of N-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide?
N-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.19, 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)propane-1-sulfonamide is sourced from PubChem (CID 105060601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).