N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine

C15H26N2O2S — CID 120871732

IUPACN'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine
SMILESCCCS(=O)(=O)CCN(CCN)CCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-2-13-20(18,19)14-12-17(11-9-16)10-8-15-6-4-3-5-7-15/h3-7H,2,8-14,16H2,1H3
InChIKeyVKZWOQPYGWFNAD-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.31
Rot. Bonds10

About N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine

N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine (PubChem CID 120871732) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine
PubChem CID120871732
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine
SMILESCCCS(=O)(=O)CCN(CCN)CCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-2-13-20(18,19)14-12-17(11-9-16)10-8-15-6-4-3-5-7-15/h3-7H,2,8-14,16H2,1H3
InChIKeyVKZWOQPYGWFNAD-UHFFFAOYSA-N
XLogP1.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.31
H-Bond Donors ≤ 51
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-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride
CID 120872331
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 61014687
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-[2-(4-chlorophenyl)ethyl]-N-(2-phenylethyl)propan-1-amine
CID 11370098
3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide
CID 120872156
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
CID 107367797
N'-propyl-N'-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63265157
3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide
CID 26514081

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine (CID 120871732) is N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine is CCCS(=O)(=O)CCN(CCN)CCc1ccccc1.
What is the InChIKey of N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine?
The InChIKey is VKZWOQPYGWFNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-2-13-20(18,19)14-12-17(11-9-16)10-8-15-6-4-3-5-7-15/h3-7H,2,8-14,16H2,1H3.
What are the key properties of N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine?
N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine has a molecular weight of 298.45 g/mol, XLogP of 1.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine is sourced from PubChem (CID 120871732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).