N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide

C14H24N2O2S — CID 105060592

IUPACN-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC(C)(CN)c1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-12(2)9-10-19(17,18)16-14(3,11-15)13-7-5-4-6-8-13/h4-8,12,16H,9-11,15H2,1-3H3
InChIKeyRHTTWGZSFUWTOO-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.83
Rot. Bonds7

About N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide

N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide (PubChem CID 105060592) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide
PubChem CID105060592
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC(C)(CN)c1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-12(2)9-10-19(17,18)16-14(3,11-15)13-7-5-4-6-8-13/h4-8,12,16H,9-11,15H2,1-3H3
InChIKeyRHTTWGZSFUWTOO-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide
CID 105060587
N-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide
CID 105060601
N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834751
N-(1-amino-2,3-dimethylbutan-2-yl)-3-methylbutane-1-sulfonamide
CID 115310693
N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide
CID 105060280
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
CID 115310011
2-(3-methylbutylsulfonylamino)benzenesulfonamide
CID 63821952
N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 105060564
3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide
CID 146353112
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79592434

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide (CID 105060592) is N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NC(C)(CN)c1ccccc1.
What is the InChIKey of N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide?
The InChIKey is RHTTWGZSFUWTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12(2)9-10-19(17,18)16-14(3,11-15)13-7-5-4-6-8-13/h4-8,12,16H,9-11,15H2,1-3H3.
What are the key properties of N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide?
N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.83, 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-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 105060592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).