N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine

C13H22N2O2S — CID 79858682

IUPACN,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine
SMILESCNCC(c1ccccc1)N(C)CCS(C)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-14-11-13(12-7-5-4-6-8-12)15(2)9-10-18(3,16)17/h4-8,13-14H,9-11H2,1-3H3
InChIKeyZJKJOUCICBNDBO-UHFFFAOYSA-N
MW270.40 g/mol
LogP0.92
Rot. Bonds7

About N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine

N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine (PubChem CID 79858682) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine
PubChem CID79858682
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine
SMILESCNCC(c1ccccc1)N(C)CCS(C)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-14-11-13(12-7-5-4-6-8-12)15(2)9-10-18(3,16)17/h4-8,13-14H,9-11H2,1-3H3
InChIKeyZJKJOUCICBNDBO-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
3-[methyl(2-methylsulfonylethyl)amino]-3-phenylpropanoic acid
CID 79859062
N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 62462209
N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494234
N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
CID 62420575
1-[4-(benzenesulfonyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 145029124
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62432915
N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
CID 79844182
N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62462915
N'-ethyl-N-methyl-1-phenyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65488464

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine (CID 79858682) is N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine is CNCC(c1ccccc1)N(C)CCS(C)(=O)=O.
What is the InChIKey of N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine?
The InChIKey is ZJKJOUCICBNDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-14-11-13(12-7-5-4-6-8-12)15(2)9-10-18(3,16)17/h4-8,13-14H,9-11H2,1-3H3.
What are the key properties of N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine?
N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine has a molecular weight of 270.40 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 79858682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).