N,N-diethylethanamine;ethenesulfonic acid

C8H19NO3S — CID 13351083

IUPACN,N-diethylethanamine;ethenesulfonic acid
SMILESC=CS(=O)(=O)O.CCN(CC)CC
InChIInChI=1S/C6H15N.C2H4O3S/c1-4-7(5-2)6-3;1-2-6(3,4)5/h4-6H2,1-3H3;2H,1H2,(H,3,4,5)
InChIKeyPZHDBRGFHRWRBN-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.37
Rot. Bonds4

About N,N-diethylethanamine;ethenesulfonic acid

N,N-diethylethanamine;ethenesulfonic acid (PubChem CID 13351083) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N,N-diethylethanamine;ethenesulfonic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;ethenesulfonic acid
PubChem CID13351083
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN,N-diethylethanamine;ethenesulfonic acid
SMILESC=CS(=O)(=O)O.CCN(CC)CC
InChIInChI=1S/C6H15N.C2H4O3S/c1-4-7(5-2)6-3;1-2-6(3,4)5/h4-6H2,1-3H3;2H,1H2,(H,3,4,5)
InChIKeyPZHDBRGFHRWRBN-UHFFFAOYSA-N
XLogP1.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;ethenesulfonic acid?
The IUPAC name of N,N-diethylethanamine;ethenesulfonic acid (CID 13351083) is N,N-diethylethanamine;ethenesulfonic acid.
What is the SMILES notation for N,N-diethylethanamine;ethenesulfonic acid?
The canonical SMILES for N,N-diethylethanamine;ethenesulfonic acid is C=CS(=O)(=O)O.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;ethenesulfonic acid?
The InChIKey is PZHDBRGFHRWRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H4O3S/c1-4-7(5-2)6-3;1-2-6(3,4)5/h4-6H2,1-3H3;2H,1H2,(H,3,4,5).
What are the key properties of N,N-diethylethanamine;ethenesulfonic acid?
N,N-diethylethanamine;ethenesulfonic acid has a molecular weight of 209.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;ethenesulfonic acid is sourced from PubChem (CID 13351083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).