N-(2-aminoethyl)-N-ethylmethanesulfonamide

C5H14N2O2S — CID 28707732

IUPACN-(2-aminoethyl)-N-ethylmethanesulfonamide
SMILESCCN(CCN)S(C)(=O)=O
InChIInChI=1S/C5H14N2O2S/c1-3-7(5-4-6)10(2,8)9/h3-6H2,1-2H3
InChIKeyJMDRABFEHQCUIK-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.77
Rot. Bonds4

About N-(2-aminoethyl)-N-ethylmethanesulfonamide

N-(2-aminoethyl)-N-ethylmethanesulfonamide (PubChem CID 28707732) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethylmethanesulfonamide
PubChem CID28707732
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC NameN-(2-aminoethyl)-N-ethylmethanesulfonamide
SMILESCCN(CCN)S(C)(=O)=O
InChIInChI=1S/C5H14N2O2S/c1-3-7(5-4-6)10(2,8)9/h3-6H2,1-2H3
InChIKeyJMDRABFEHQCUIK-UHFFFAOYSA-N
XLogP-0.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-ethylmethanesulfonamide (CID 28707732) is N-(2-aminoethyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethylmethanesulfonamide is CCN(CCN)S(C)(=O)=O.
What is the InChIKey of N-(2-aminoethyl)-N-ethylmethanesulfonamide?
The InChIKey is JMDRABFEHQCUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-3-7(5-4-6)10(2,8)9/h3-6H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-ethylmethanesulfonamide?
N-(2-aminoethyl)-N-ethylmethanesulfonamide has a molecular weight of 166.25 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 28707732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).