N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride

C14H25ClN2O2S — CID 119976164

IUPACN-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride
SMILESCCC(CC)CS(=O)(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-3-12(4-2)11-19(17,18)16-10-14(15)13-8-6-5-7-9-13;/h5-9,12,14,16H,3-4,10-11,15H2,1-2H3;1H
InChIKeyDRRRSOAULFSGGG-UHFFFAOYSA-N
MW320.89 g/mol
LogP2.46
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride

N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride (PubChem CID 119976164) has the molecular formula C14H25ClN2O2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride
PubChem CID119976164
Molecular FormulaC14H25ClN2O2S
Molecular Weight320.89 g/mol
Exact Mass320.13
IUPAC NameN-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride
SMILESCCC(CC)CS(=O)(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-3-12(4-2)11-19(17,18)16-10-14(15)13-8-6-5-7-9-13;/h5-9,12,14,16H,3-4,10-11,15H2,1-2H3;1H
InChIKeyDRRRSOAULFSGGG-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 119976308
N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride
CID 119976159
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
CID 99850241
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-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 61453712
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119972475
(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide
CID 97025412
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride (CID 119976164) is N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride is CCC(CC)CS(=O)(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The InChIKey is DRRRSOAULFSGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S.ClH/c1-3-12(4-2)11-19(17,18)16-10-14(15)13-8-6-5-7-9-13;/h5-9,12,14,16H,3-4,10-11,15H2,1-2H3;1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 2.46, 8 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)-2-ethylbutane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119976164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).