N-(1-amino-2-phenylethyl)ethanesulfonamide

C10H16N2O2S — CID 69257411

IUPACN-(1-amino-2-phenylethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(N)Cc1ccccc1
InChIInChI=1S/C10H16N2O2S/c1-2-15(13,14)12-10(11)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8,11H2,1H3
InChIKeyKUJHZNXVXSDRKG-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.45
Rot. Bonds5

About N-(1-amino-2-phenylethyl)ethanesulfonamide

N-(1-amino-2-phenylethyl)ethanesulfonamide (PubChem CID 69257411) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(1-amino-2-phenylethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-phenylethyl)ethanesulfonamide
PubChem CID69257411
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(1-amino-2-phenylethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(N)Cc1ccccc1
InChIInChI=1S/C10H16N2O2S/c1-2-15(13,14)12-10(11)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8,11H2,1H3
InChIKeyKUJHZNXVXSDRKG-UHFFFAOYSA-N
XLogP0.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1-amino-2-phenylethyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-ethylsulfonyl-3-phenylpropanamide
CID 103307138
N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide
CID 65030823
N-(2-phenyl-1-thiophen-2-ylethyl)ethanesulfonamide
CID 56791791
methanesulfonic acid;1-phenylpropan-2-amine
CID 173025540
methanesulfonic acid;(2S)-1-phenylpropan-2-amine
CID 87182702
N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide
CID 51107382
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287725
(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287274
1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63010726
1-(2-aminohydrazinyl)-2-phenylethanamine
CID 59885434
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-phenylethyl)ethanesulfonamide?
The IUPAC name of N-(1-amino-2-phenylethyl)ethanesulfonamide (CID 69257411) is N-(1-amino-2-phenylethyl)ethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-phenylethyl)ethanesulfonamide?
The canonical SMILES for N-(1-amino-2-phenylethyl)ethanesulfonamide is CCS(=O)(=O)NC(N)Cc1ccccc1.
What is the InChIKey of N-(1-amino-2-phenylethyl)ethanesulfonamide?
The InChIKey is KUJHZNXVXSDRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-15(13,14)12-10(11)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8,11H2,1H3.
What are the key properties of N-(1-amino-2-phenylethyl)ethanesulfonamide?
N-(1-amino-2-phenylethyl)ethanesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-phenylethyl)ethanesulfonamide is sourced from PubChem (CID 69257411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).