N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide

C15H26N2O2S — CID 107158980

IUPACN-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide
SMILESCC(C)(C)CC(N)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-15(2,3)11-14(16)12-17-20(18,19)10-9-13-7-5-4-6-8-13/h4-8,14,17H,9-12,16H2,1-3H3
InChIKeyGQHLFBDSPDQDSL-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.91
Rot. Bonds7

About N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide

N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide (PubChem CID 107158980) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide
PubChem CID107158980
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide
SMILESCC(C)(C)CC(N)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-15(2,3)11-14(16)12-17-20(18,19)10-9-13-7-5-4-6-8-13/h4-8,14,17H,9-12,16H2,1-3H3
InChIKeyGQHLFBDSPDQDSL-UHFFFAOYSA-N
XLogP1.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385
N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 103697673
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
CID 66167720
N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide
CID 82723208
N-(3-chloro-2,2-dimethylpropyl)-2-phenylethanesulfonamide
CID 113295116
N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
CID 99850241
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-phenylethanesulfonamide
CID 109379684
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-phenylethanesulfonamide
CID 7497942
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
CID 115310011
N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide
CID 106251290

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide (CID 107158980) is N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide is CC(C)(C)CC(N)CNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide?
The InChIKey is GQHLFBDSPDQDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-15(2,3)11-14(16)12-17-20(18,19)10-9-13-7-5-4-6-8-13/h4-8,14,17H,9-12,16H2,1-3H3.
What are the key properties of N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide?
N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 107158980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).