N-(2-aminobutyl)-2-phenylethanesulfonamide

C12H20N2O2S — CID 63731385

IUPACN-(2-aminobutyl)-2-phenylethanesulfonamide
SMILESCCC(N)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-2-12(13)10-14-17(15,16)9-8-11-6-4-3-5-7-11/h3-7,12,14H,2,8-10,13H2,1H3
InChIKeyUWIJRJVHQVZRAH-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.89
Rot. Bonds7

About N-(2-aminobutyl)-2-phenylethanesulfonamide

N-(2-aminobutyl)-2-phenylethanesulfonamide (PubChem CID 63731385) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-aminobutyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-2-phenylethanesulfonamide
PubChem CID63731385
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-aminobutyl)-2-phenylethanesulfonamide
SMILESCCC(N)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-2-12(13)10-14-17(15,16)9-8-11-6-4-3-5-7-11/h3-7,12,14H,2,8-10,13H2,1H3
InChIKeyUWIJRJVHQVZRAH-UHFFFAOYSA-N
XLogP0.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 107158980
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide
CID 106118299
2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
CID 66167720
N-(3-bromopentyl)-2-phenylethanesulfonamide
CID 113498008
N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 103697673
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-phenylethanesulfonamide
CID 7497942
N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide
CID 106251290
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506478
N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide
CID 110358143
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide
CID 60532275

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(2-aminobutyl)-2-phenylethanesulfonamide (CID 63731385) is N-(2-aminobutyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2-aminobutyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(2-aminobutyl)-2-phenylethanesulfonamide is CCC(N)CNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(2-aminobutyl)-2-phenylethanesulfonamide?
The InChIKey is UWIJRJVHQVZRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-12(13)10-14-17(15,16)9-8-11-6-4-3-5-7-11/h3-7,12,14H,2,8-10,13H2,1H3.
What are the key properties of N-(2-aminobutyl)-2-phenylethanesulfonamide?
N-(2-aminobutyl)-2-phenylethanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 63731385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).