N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride

C12H22ClN3O4S2 — CID 119976308

IUPACN-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCS(=O)(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C12H21N3O4S2.ClH/c1-2-20(16,17)14-8-9-21(18,19)15-10-12(13)11-6-4-3-5-7-11;/h3-7,12,14-15H,2,8-10,13H2,1H3;1H
InChIKeyIUXAWYFRRDGPFY-UHFFFAOYSA-N
MW371.91 g/mol
LogP-0.03
Rot. Bonds9

About N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride

N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride (PubChem CID 119976308) has the molecular formula C12H22ClN3O4S2 and a molecular weight of 371.91 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
PubChem CID119976308
Molecular FormulaC12H22ClN3O4S2
Molecular Weight371.91 g/mol
Exact Mass371.07
IUPAC NameN-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCS(=O)(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C12H21N3O4S2.ClH/c1-2-20(16,17)14-8-9-21(18,19)15-10-12(13)11-6-4-3-5-7-11;/h3-7,12,14-15H,2,8-10,13H2,1H3;1H
InChIKeyIUXAWYFRRDGPFY-UHFFFAOYSA-N
XLogP-0.03
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride
CID 119976159
N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
CID 99850241
N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119976164
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
3-amino-N-[2-(ethylsulfonylamino)ethyl]-3-phenylpropanamide
CID 119949886
N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide
CID 79672706
N-(2-amino-2-phenylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
CID 84591502
[1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene
CID 119976145
N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide
CID 80506787
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 61453712
N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide;hydrochloride
CID 68646688

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride (CID 119976308) is N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride is CCS(=O)(=O)NCCS(=O)(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride?
The InChIKey is IUXAWYFRRDGPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2.ClH/c1-2-20(16,17)14-8-9-21(18,19)15-10-12(13)11-6-4-3-5-7-11;/h3-7,12,14-15H,2,8-10,13H2,1H3;1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride?
N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of -0.03, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride is sourced from PubChem (CID 119976308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).