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

C6H18Cl2N2O2S — CID 126800681

IUPACN'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine;dihydrochloride
SMILESCN(CCN)CCS(C)(=O)=O.Cl.Cl
InChIInChI=1S/C6H16N2O2S.2ClH/c1-8(4-3-7)5-6-11(2,9)10;;/h3-7H2,1-2H3;2*1H
InChIKeyCQJYPKSWSLSACT-UHFFFAOYSA-N
MW253.19 g/mol
LogP-0.23
Rot. Bonds5

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

N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine;dihydrochloride (PubChem CID 126800681) has the molecular formula C6H18Cl2N2O2S and a molecular weight of 253.19 g/mol. Its IUPAC name is N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine;dihydrochloride
PubChem CID126800681
Molecular FormulaC6H18Cl2N2O2S
Molecular Weight253.19 g/mol
Exact Mass252.05
IUPAC NameN'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine;dihydrochloride
SMILESCN(CCN)CCS(C)(=O)=O.Cl.Cl
InChIInChI=1S/C6H16N2O2S.2ClH/c1-8(4-3-7)5-6-11(2,9)10;;/h3-7H2,1-2H3;2*1H
InChIKeyCQJYPKSWSLSACT-UHFFFAOYSA-N
XLogP-0.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine;dihydrochloride (CID 126800681) is N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine;dihydrochloride is CN(CCN)CCS(C)(=O)=O.Cl.Cl.
What is the InChIKey of N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is CQJYPKSWSLSACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S.2ClH/c1-8(4-3-7)5-6-11(2,9)10;;/h3-7H2,1-2H3;2*1H.
What are the key properties of N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine;dihydrochloride?
N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 253.19 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 126800681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).