N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride

C12H21ClN2O3S — CID 119976159

IUPACN-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride
SMILESCCOCCS(=O)(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C12H20N2O3S.ClH/c1-2-17-8-9-18(15,16)14-10-12(13)11-6-4-3-5-7-11;/h3-7,12,14H,2,8-10,13H2,1H3;1H
InChIKeySYEFSQAVAQVFAZ-UHFFFAOYSA-N
MW308.83 g/mol
LogP1.06
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride

N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride (PubChem CID 119976159) has the molecular formula C12H21ClN2O3S and a molecular weight of 308.83 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride
PubChem CID119976159
Molecular FormulaC12H21ClN2O3S
Molecular Weight308.83 g/mol
Exact Mass308.10
IUPAC NameN-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride
SMILESCCOCCS(=O)(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C12H20N2O3S.ClH/c1-2-17-8-9-18(15,16)14-10-12(13)11-6-4-3-5-7-11;/h3-7,12,14H,2,8-10,13H2,1H3;1H
InChIKeySYEFSQAVAQVFAZ-UHFFFAOYSA-N
XLogP1.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 119976308
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
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119527625
N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide
CID 80506787
N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 119527626
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
[1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene
CID 119976299

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride (CID 119976159) is N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride is CCOCCS(=O)(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride?
The InChIKey is SYEFSQAVAQVFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S.ClH/c1-2-17-8-9-18(15,16)14-10-12(13)11-6-4-3-5-7-11;/h3-7,12,14H,2,8-10,13H2,1H3;1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride?
N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride has a molecular weight of 308.83 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride is sourced from PubChem (CID 119976159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).