N-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine

C6H16N2O2S — CID 88515570

IUPACN-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine
SMILESCNCCS(=O)(=O)CCNC
InChIInChI=1S/C6H16N2O2S/c1-7-3-5-11(9,10)6-4-8-2/h7-8H,3-6H2,1-2H3
InChIKeyGEIVHPNWRJAOAB-UHFFFAOYSA-N
MW180.27 g/mol
LogP-1.16
Rot. Bonds6

About N-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine

N-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine (PubChem CID 88515570) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is N-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine
PubChem CID88515570
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC NameN-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine
SMILESCNCCS(=O)(=O)CCNC
InChIInChI=1S/C6H16N2O2S/c1-7-3-5-11(9,10)6-4-8-2/h7-8H,3-6H2,1-2H3
InChIKeyGEIVHPNWRJAOAB-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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine?
The IUPAC name of N-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine (CID 88515570) is N-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine is CNCCS(=O)(=O)CCNC.
What is the InChIKey of N-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine?
The InChIKey is GEIVHPNWRJAOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-7-3-5-11(9,10)6-4-8-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine?
N-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine 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-2-[2-(methylamino)ethylsulfonyl]ethanamine is sourced from PubChem (CID 88515570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).