N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine

C13H22N2O2S — CID 79850524

IUPACN'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCc1ccccc1C(N)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-11-6-4-5-7-12(11)13(14)10-15(2)8-9-18(3,16)17/h4-7,13H,8-10,14H2,1-3H3
InChIKeyRTTOFLUEAWULGW-UHFFFAOYSA-N
MW270.40 g/mol
LogP0.97
Rot. Bonds6

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

N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine (PubChem CID 79850524) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
PubChem CID79850524
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCc1ccccc1C(N)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-11-6-4-5-7-12(11)13(14)10-15(2)8-9-18(3,16)17/h4-7,13H,8-10,14H2,1-3H3
InChIKeyRTTOFLUEAWULGW-UHFFFAOYSA-N
XLogP0.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 43295706
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
CID 115997188
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
CID 115997000
N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 55001596
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010
3-(1-chloroethylsulfonyl)-1-(2-methylphenyl)propan-1-amine
CID 139790422
N'-(1-cyclopropylethyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43569043
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62979148
N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine
CID 65488249
N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55011368

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine (CID 79850524) is N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine is Cc1ccccc1C(N)CN(C)CCS(C)(=O)=O.
What is the InChIKey of N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
The InChIKey is RTTOFLUEAWULGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-11-6-4-5-7-12(11)13(14)10-15(2)8-9-18(3,16)17/h4-7,13H,8-10,14H2,1-3H3.
What are the key properties of N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine has a molecular weight of 270.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine is sourced from PubChem (CID 79850524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).