N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine

C13H22N2O2S — CID 62642355

IUPACN'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-15(3)11-10-14-12-6-8-13(9-7-12)18(16,17)5-2/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyYMIITYWJKAVXNE-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.84
Rot. Bonds7

About N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine

N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 62642355) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
PubChem CID62642355
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-15(3)11-10-14-12-6-8-13(9-7-12)18(16,17)5-2/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyYMIITYWJKAVXNE-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62640164
N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 62977988
4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62640211
4-ethylsulfonyl-N-pentylaniline
CID 43453358
N-(3-chloropropyl)-4-ethylsulfonylaniline
CID 65029662
4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)aniline
CID 43453365
6-(4-ethylsulfonylanilino)hexan-1-ol
CID 103867994
4-ethylsulfonyl-N-(2-propan-2-yloxyethyl)aniline
CID 113250557
4-ethylsulfonyl-N-(2-methylpropyl)aniline
CID 43453340
N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline
CID 103462508
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62842954
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine (CID 62642355) is N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine is CCN(C)CCNc1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is YMIITYWJKAVXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-15(3)11-10-14-12-6-8-13(9-7-12)18(16,17)5-2/h6-9,14H,4-5,10-11H2,1-3H3.
What are the key properties of N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine?
N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 270.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62642355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).