N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

C14H25ClN2O2S — CID 120871608

IUPACN'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCCS(=O)(=O)CCN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-2-19(17,18)13-12-16(11-9-15)10-8-14-6-4-3-5-7-14;/h3-7H,2,8-13,15H2,1H3;1H
InChIKeyJWMFLOVKZRGSHE-UHFFFAOYSA-N
MW320.89 g/mol
LogP1.35
Rot. Bonds9

About N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (PubChem CID 120871608) has the molecular formula C14H25ClN2O2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
PubChem CID120871608
Molecular FormulaC14H25ClN2O2S
Molecular Weight320.89 g/mol
Exact Mass320.13
IUPAC NameN'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCCS(=O)(=O)CCN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-2-19(17,18)13-12-16(11-9-15)10-8-14-6-4-3-5-7-14;/h3-7H,2,8-13,15H2,1H3;1H
InChIKeyJWMFLOVKZRGSHE-UHFFFAOYSA-N
XLogP1.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine
CID 120871732
N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride
CID 120872331
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'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 61014687
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
CID 107367797
3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide
CID 120872156
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-(cyclobutylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120872591
N'-[methyl(2-methylpropyl)sulfamoyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895741

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (CID 120871608) is N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is CCS(=O)(=O)CCN(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is JWMFLOVKZRGSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S.ClH/c1-2-19(17,18)13-12-16(11-9-15)10-8-14-6-4-3-5-7-14;/h3-7H,2,8-13,15H2,1H3;1H.
What are the key properties of N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 1.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120871608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).