N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide

C14H24N2O2S — CID 80686091

IUPACN-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-4-14(3,11-15)16-19(17,18)10-12(2)13-8-6-5-7-9-13/h5-9,12,16H,4,10-11,15H2,1-3H3
InChIKeyBLAJYUQSKUAWSU-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.84
Rot. Bonds7

About N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide

N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide (PubChem CID 80686091) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide
PubChem CID80686091
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-4-14(3,11-15)16-19(17,18)10-12(2)13-8-6-5-7-9-13/h5-9,12,16H,4,10-11,15H2,1-3H3
InChIKeyBLAJYUQSKUAWSU-UHFFFAOYSA-N
XLogP1.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-2-methyl-2-(2-phenylpropylsulfonylamino)propanimidamide
CID 80686938
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686473
N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide
CID 80686247
2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide
CID 80688313
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine
CID 68807261
N-ethoxy-2-phenylpropane-1-sulfonamide
CID 80686317
N-(2-bromo-4,4-dimethylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158108
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 80686410
N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide
CID 115309921

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide (CID 80686091) is N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide is CCC(C)(CN)NS(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide?
The InChIKey is BLAJYUQSKUAWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-14(3,11-15)16-19(17,18)10-12(2)13-8-6-5-7-9-13/h5-9,12,16H,4,10-11,15H2,1-3H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide?
N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80686091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).