N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide

C11H16N2O2S — CID 79672706

IUPACN-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCC(N)c1ccccc1
InChIInChI=1S/C11H16N2O2S/c1-2-8-16(14,15)13-9-11(12)10-6-4-3-5-7-10/h2-7,11,13H,1,8-9,12H2
InChIKeyYHLPIYVSRSPZFC-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.79
Rot. Bonds6

About N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide

N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide (PubChem CID 79672706) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide
PubChem CID79672706
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCC(N)c1ccccc1
InChIInChI=1S/C11H16N2O2S/c1-2-8-16(14,15)13-9-11(12)10-6-4-3-5-7-10/h2-7,11,13H,1,8-9,12H2
InChIKeyYHLPIYVSRSPZFC-UHFFFAOYSA-N
XLogP0.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
CID 99850241
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119976164
N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 119976308
N-(2-amino-2-phenylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
CID 84591502
N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide
CID 142953388
(E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide
CID 43605703
N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride
CID 119976159
[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 61453712
[1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene
CID 119976145
N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]prop-2-ene-1-sulfonamide
CID 43957170
N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
CID 43605705

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide (CID 79672706) is N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide?
The InChIKey is YHLPIYVSRSPZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-8-16(14,15)13-9-11(12)10-6-4-3-5-7-10/h2-7,11,13H,1,8-9,12H2.
What are the key properties of N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide?
N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide has a molecular weight of 240.33 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 79672706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).