N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide

C15H26N2O2S — CID 106251290

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide
SMILESCCC(CC)(CN)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-3-15(4-2,12-16)13-17-20(18,19)11-10-14-8-6-5-7-9-14/h5-9,17H,3-4,10-13,16H2,1-2H3
InChIKeyRFYMWBHPAPSNCT-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.91
Rot. Bonds9

About N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide

N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide (PubChem CID 106251290) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide
PubChem CID106251290
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide
SMILESCCC(CC)(CN)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-3-15(4-2,12-16)13-17-20(18,19)11-10-14-8-6-5-7-9-14/h5-9,17H,3-4,10-13,16H2,1-2H3
InChIKeyRFYMWBHPAPSNCT-UHFFFAOYSA-N
XLogP1.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-(3-chloro-2,2-dimethylpropyl)-2-phenylethanesulfonamide
CID 113295116
N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385
2-ethyl-2-(2-phenylethylsulfonylamino)butanethioamide
CID 80686540
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-phenylethanesulfonamide
CID 109379684
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
CID 103697669
N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 107158980
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide
CID 103844738
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
CID 115310011
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide
CID 80686528

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide (CID 106251290) is N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide is CCC(CC)(CN)CNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide?
The InChIKey is RFYMWBHPAPSNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-3-15(4-2,12-16)13-17-20(18,19)11-10-14-8-6-5-7-9-14/h5-9,17H,3-4,10-13,16H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide?
N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 106251290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).