N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide

C12H20N2O2S — CID 120895596

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-2-17(15,16)14(11-9-13)10-8-12-6-4-3-5-7-12/h3-7H,2,8-11,13H2,1H3
InChIKeyCJAUUAVEWPMILH-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.84
Rot. Bonds7

About N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide

N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide (PubChem CID 120895596) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
PubChem CID120895596
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-2-17(15,16)14(11-9-13)10-8-12-6-4-3-5-7-12/h3-7H,2,8-11,13H2,1H3
InChIKeyCJAUUAVEWPMILH-UHFFFAOYSA-N
XLogP0.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951
N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 120895557
N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine
CID 120871732
N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 120895321
N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871608
N'-[methyl(2-methylpropyl)sulfamoyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895741
N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120895456
N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide
CID 120877130
N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
CID 43136946
N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide (CID 120895596) is N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide is CCS(=O)(=O)N(CCN)CCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide?
The InChIKey is CJAUUAVEWPMILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-17(15,16)14(11-9-13)10-8-12-6-4-3-5-7-12/h3-7H,2,8-11,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide?
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide is sourced from PubChem (CID 120895596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).