N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine

C12H20N2O2S — CID 61014687

IUPACN'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCS(=O)(=O)CCN(CCN)Cc1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-17(15,16)10-9-14(8-7-13)11-12-5-3-2-4-6-12/h2-6H,7-11,13H2,1H3
InChIKeyPXCJNBPMTPSZGK-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.49
Rot. Bonds7

About N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine

N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine (PubChem CID 61014687) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
PubChem CID61014687
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCS(=O)(=O)CCN(CCN)Cc1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-17(15,16)10-9-14(8-7-13)11-12-5-3-2-4-6-12/h2-6H,7-11,13H2,1H3
InChIKeyPXCJNBPMTPSZGK-UHFFFAOYSA-N
XLogP0.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
CID 107367797
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'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
CID 101461919
5-[2-aminoethyl(benzyl)amino]pentan-1-ol
CID 62229179
3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide
CID 26514081

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine (CID 61014687) is N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine is CS(=O)(=O)CCN(CCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
The InChIKey is PXCJNBPMTPSZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-17(15,16)10-9-14(8-7-13)11-12-5-3-2-4-6-12/h2-6H,7-11,13H2,1H3.
What are the key properties of N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine has a molecular weight of 256.37 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine is sourced from PubChem (CID 61014687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).