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

C6H16N2O2S — CID 62560122

IUPACN-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCNCCNCCS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-7-3-4-8-5-6-11(2,9)10/h7-8H,3-6H2,1-2H3
InChIKeyCGOVDTQIVWFYDS-UHFFFAOYSA-N
MW180.27 g/mol
LogP-1.16
Rot. Bonds6

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

N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine (PubChem CID 62560122) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
PubChem CID62560122
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC NameN-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCNCCNCCS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-7-3-4-8-5-6-11(2,9)10/h7-8H,3-6H2,1-2H3
InChIKeyCGOVDTQIVWFYDS-UHFFFAOYSA-N
XLogP-1.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine (CID 62560122) is N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine is CNCCNCCS(C)(=O)=O.
What is the InChIKey of N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
The InChIKey is CGOVDTQIVWFYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-7-3-4-8-5-6-11(2,9)10/h7-8H,3-6H2,1-2H3.
What are the key properties of N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine has a molecular weight of 180.27 g/mol, XLogP of -1.16, 6 rotatable bonds, 2 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 is sourced from PubChem (CID 62560122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).