N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride

C14H26ClN3O2S — CID 120872331

IUPACN-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C14H25N3O2S.ClH/c1-2-20(18,19)16-10-13-17(12-9-15)11-8-14-6-4-3-5-7-14;/h3-7,16H,2,8-13,15H2,1H3;1H
InChIKeyMLRGDUZTESQSEE-UHFFFAOYSA-N
MW335.90 g/mol
LogP0.85
Rot. Bonds10

About N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride

N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride (PubChem CID 120872331) has the molecular formula C14H26ClN3O2S and a molecular weight of 335.90 g/mol. Its IUPAC name is N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride
PubChem CID120872331
Molecular FormulaC14H26ClN3O2S
Molecular Weight335.90 g/mol
Exact Mass335.14
IUPAC NameN-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C14H25N3O2S.ClH/c1-2-20(18,19)16-10-13-17(12-9-15)11-8-14-6-4-3-5-7-14;/h3-7,16H,2,8-13,15H2,1H3;1H
InChIKeyMLRGDUZTESQSEE-UHFFFAOYSA-N
XLogP0.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871608
N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine
CID 120871732
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride
CID 120871888
N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 54603767
3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride
CID 120871594
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884697
3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide
CID 120872156
N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 61014687

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride (CID 120872331) is N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride is CCS(=O)(=O)NCCN(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride?
The InChIKey is MLRGDUZTESQSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S.ClH/c1-2-20(18,19)16-10-13-17(12-9-15)11-8-14-6-4-3-5-7-14;/h3-7,16H,2,8-13,15H2,1H3;1H.
What are the key properties of N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride?
N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride has a molecular weight of 335.90 g/mol, XLogP of 0.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 120872331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).