2-amino-N,N-diethylethanesulfonamide

C6H16N2O2S — CID 13343448

IUPAC2-amino-N,N-diethylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCN
InChIInChI=1S/C6H16N2O2S/c1-3-8(4-2)11(9,10)6-5-7/h3-7H2,1-2H3
InChIKeyKGXYZAAPAACSCO-UHFFFAOYSA-N
MW180.27 g/mol
LogP-0.38
Rot. Bonds5

About 2-amino-N,N-diethylethanesulfonamide

2-amino-N,N-diethylethanesulfonamide (PubChem CID 13343448) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-amino-N,N-diethylethanesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-diethylethanesulfonamide
PubChem CID13343448
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name2-amino-N,N-diethylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCN
InChIInChI=1S/C6H16N2O2S/c1-3-8(4-2)11(9,10)6-5-7/h3-7H2,1-2H3
InChIKeyKGXYZAAPAACSCO-UHFFFAOYSA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethylethanesulfonamide?
The IUPAC name of 2-amino-N,N-diethylethanesulfonamide (CID 13343448) is 2-amino-N,N-diethylethanesulfonamide.
What is the SMILES notation for 2-amino-N,N-diethylethanesulfonamide?
The canonical SMILES for 2-amino-N,N-diethylethanesulfonamide is CCN(CC)S(=O)(=O)CCN.
What is the InChIKey of 2-amino-N,N-diethylethanesulfonamide?
The InChIKey is KGXYZAAPAACSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-3-8(4-2)11(9,10)6-5-7/h3-7H2,1-2H3.
What are the key properties of 2-amino-N,N-diethylethanesulfonamide?
2-amino-N,N-diethylethanesulfonamide has a molecular weight of 180.27 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diethylethanesulfonamide is sourced from PubChem (CID 13343448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).