N'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine

C12H20N2O2S — CID 62592463

IUPACN'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCCS(=O)(=O)c1ccc(N(C)CCNC)cc1
InChIInChI=1S/C12H20N2O2S/c1-4-17(15,16)12-7-5-11(6-8-12)14(3)10-9-13-2/h5-8,13H,4,9-10H2,1-3H3
InChIKeyHAMDOJVGNGAJSI-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.14
Rot. Bonds6

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

N'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 62592463) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID62592463
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCCS(=O)(=O)c1ccc(N(C)CCNC)cc1
InChIInChI=1S/C12H20N2O2S/c1-4-17(15,16)12-7-5-11(6-8-12)14(3)10-9-13-2/h5-8,13H,4,9-10H2,1-3H3
InChIKeyHAMDOJVGNGAJSI-UHFFFAOYSA-N
XLogP1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62591786
4-(4-ethylsulfonyl-N-methylanilino)butan-2-one
CID 115235556
5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203360
4-(4-ethylsulfonyl-N-methylanilino)butanoic acid
CID 43453320
1-(4-ethylsulfonyl-N-methylanilino)propan-2-one
CID 115234607
N-ethyl-N'-methyl-N'-[4-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 62586005
1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one
CID 99790137
N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine
CID 62593739
N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 62642355
1-(4-ethylsulfonyl-N-methylanilino)-3-methoxypropan-2-ol
CID 54999146
N-(2-bromo-3-methoxypropyl)-4-ethylsulfonyl-N-methylaniline
CID 80674911
N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide
CID 56919929

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine (CID 62592463) is N'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine is CCS(=O)(=O)c1ccc(N(C)CCNC)cc1.
What is the InChIKey of N'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is HAMDOJVGNGAJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-17(15,16)12-7-5-11(6-8-12)14(3)10-9-13-2/h5-8,13H,4,9-10H2,1-3H3.
What are the key properties of N'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine?
N'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 256.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 62592463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).